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/D1-4e3bd1fe/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D1-4e3bd1fe/inputs/seq.fa: 1
curr_seq: _UGGUACUGGAGCAUGGAAGUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUACUGGAGCAUGGAAGUU
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/D1-4e3bd1fe/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D1-4e3bd1fe/inputs/seq.fa: 1
curr_seq: _UGGUACUGGAGCAUGGAAGUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUACUGGAGCAUGGAAGUU
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/D1-4e3bd1fe/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D1-4e3bd1fe/inputs/seq.fa: 1
curr_seq: _UGGUACUGGAGCAUGGAAGUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUACUGGAGCAUGGAAGUU
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/D1-4e3bd1fe/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D1-4e3bd1fe/inputs/seq.fa: 1
curr_seq: _UGGUACUGGAGCAUGGAAGUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUACUGGAGCAUGGAAGUU
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/D1-4e3bd1fe/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D1-4e3bd1fe/inputs/seq.fa: 1
curr_seq: _UGGUACUGGAGCAUGGAAGUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUACUGGAGCAUGGAAGUU
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/D1-4e3bd1fe/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D1-4e3bd1fe/inputs/seq.fa: 1
curr_seq: _UGGUACUGGAGCAUGGAAGUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUACUGGAGCAUGGAAGUU
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/D1-4e3bd1fe/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D1-4e3bd1fe/inputs/seq.fa: 1
curr_seq: _UGGUACUGGAGCAUGGAAGUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUACUGGAGCAUGGAAGUU
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/D1-4e3bd1fe/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D1-4e3bd1fe/inputs/seq.fa: 1
curr_seq: _UGGUACUGGAGCAUGGAAGUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUACUGGAGCAUGGAAGUU
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/D1-4e3bd1fe/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D1-4e3bd1fe/inputs/seq.fa: 1
curr_seq: _UGGUACUGGAGCAUGGAAGUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUACUGGAGCAUGGAAGUU
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/D1-4e3bd1fe/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D1-4e3bd1fe/inputs/seq.fa: 1
curr_seq: _UGGUACUGGAGCAUGGAAGUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUACUGGAGCAUGGAAGUU
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: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
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: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
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: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
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: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
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: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
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: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
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: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
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: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
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: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
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: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
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: -128.820572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.820572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.820572 (E_RNA)
where:
Base-Base interactions energy: -56.993
where: short stacking energy: -56.993
Base-Backbone interact. energy: -0.000
local terms energy: -71.827854
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -17.123
flat angles P-C4'-P energy: -8.336
tors. eta vs tors. theta energy: -14.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -122.237244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.237244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.237244 (E_RNA)
where:
Base-Base interactions energy: -53.891
where: short stacking energy: -48.393
Base-Backbone interact. energy: -0.127
local terms energy: -68.219671
where:
bonds (distance) C4'-P energy: -16.441
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -12.671
flat angles P-C4'-P energy: -11.712
tors. eta vs tors. theta energy: -11.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -108.928622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.928622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.928622 (E_RNA)
where:
Base-Base interactions energy: -46.858
where: short stacking energy: -42.739
Base-Backbone interact. energy: 1.018
local terms energy: -63.087723
where:
bonds (distance) C4'-P energy: -16.008
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -11.606
flat angles P-C4'-P energy: -10.353
tors. eta vs tors. theta energy: -9.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -121.923594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.923594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.923594 (E_RNA)
where:
Base-Base interactions energy: -56.127
where: short stacking energy: -36.631
Base-Backbone interact. energy: -0.499
local terms energy: -65.297348
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -12.948
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: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -104.504145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.504145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.504145 (E_RNA)
where:
Base-Base interactions energy: -43.995
where: short stacking energy: -40.696
Base-Backbone interact. energy: -0.378
local terms energy: -60.131159
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -15.655
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -4.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -101.398241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.398241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.398241 (E_RNA)
where:
Base-Base interactions energy: -39.692
where: short stacking energy: -39.441
Base-Backbone interact. energy: -0.017
local terms energy: -61.689228
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -9.588
tors. eta vs tors. theta energy: -10.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -83.476747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.476747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.476747 (E_RNA)
where:
Base-Base interactions energy: -38.608
where: short stacking energy: -38.608
Base-Backbone interact. energy: -0.121
local terms energy: -44.748055
where:
bonds (distance) C4'-P energy: -12.119
bonds (distance) P-C4' energy: -11.518
flat angles C4'-P-C4' energy: -9.546
flat angles P-C4'-P energy: -9.409
tors. eta vs tors. theta energy: -2.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -109.271300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.271300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.271300 (E_RNA)
where:
Base-Base interactions energy: -45.144
where: short stacking energy: -44.504
Base-Backbone interact. energy: -0.001
local terms energy: -64.126383
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -11.852
flat angles C4'-P-C4' energy: -16.413
flat angles P-C4'-P energy: -11.284
tors. eta vs tors. theta energy: -10.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -82.716544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.716544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.716544 (E_RNA)
where:
Base-Base interactions energy: -40.086
where: short stacking energy: -33.387
Base-Backbone interact. energy: -0.092
local terms energy: -42.538123
where:
bonds (distance) C4'-P energy: -10.629
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -6.699
flat angles P-C4'-P energy: -6.039
tors. eta vs tors. theta energy: -2.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -87.585213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.585213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.585213 (E_RNA)
where:
Base-Base interactions energy: -49.245
where: short stacking energy: -29.970
Base-Backbone interact. energy: -0.337
local terms energy: -38.003550
where:
bonds (distance) C4'-P energy: -10.314
bonds (distance) P-C4' energy: -14.617
flat angles C4'-P-C4' energy: -9.185
flat angles P-C4'-P energy: -3.616
tors. eta vs tors. theta energy: -0.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -134.639500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.639500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.639500 (E_RNA)
where:
Base-Base interactions energy: -70.930
where: short stacking energy: -57.118
Base-Backbone interact. energy: -0.003
local terms energy: -63.706739
where:
bonds (distance) C4'-P energy: -11.192
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -15.063
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -11.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -170.813459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.813459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.813459 (E_RNA)
where:
Base-Base interactions energy: -105.336
where: short stacking energy: -47.138
Base-Backbone interact. energy: -0.080
local terms energy: -65.397738
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -15.808
flat angles P-C4'-P energy: -11.108
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: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -130.649574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.649574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.649574 (E_RNA)
where:
Base-Base interactions energy: -65.135
where: short stacking energy: -54.906
Base-Backbone interact. energy: -0.101
local terms energy: -65.414307
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -15.098
flat angles C4'-P-C4' energy: -14.549
flat angles P-C4'-P energy: -7.709
tors. eta vs tors. theta energy: -14.533
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: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -130.611153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.611153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.611153 (E_RNA)
where:
Base-Base interactions energy: -63.155
where: short stacking energy: -53.337
Base-Backbone interact. energy: -0.225
local terms energy: -67.231405
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -10.919
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: -15.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -112.560312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.560312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.560312 (E_RNA)
where:
Base-Base interactions energy: -53.544
where: short stacking energy: -42.236
Base-Backbone interact. energy: 0.051
local terms energy: -59.067178
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -14.910
flat angles P-C4'-P energy: -8.027
tors. eta vs tors. theta energy: -6.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -97.959940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.959940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.959940 (E_RNA)
where:
Base-Base interactions energy: -51.451
where: short stacking energy: -37.679
Base-Backbone interact. energy: -0.116
local terms energy: -46.393262
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -10.983
flat angles C4'-P-C4' energy: -9.171
flat angles P-C4'-P energy: -5.954
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: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -90.875154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.875154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.875154 (E_RNA)
where:
Base-Base interactions energy: -43.846
where: short stacking energy: -33.832
Base-Backbone interact. energy: -0.154
local terms energy: -46.875421
where:
bonds (distance) C4'-P energy: -7.747
bonds (distance) P-C4' energy: -14.972
flat angles C4'-P-C4' energy: -7.659
flat angles P-C4'-P energy: -8.099
tors. eta vs tors. theta energy: -8.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -96.595731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.595731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.595731 (E_RNA)
where:
Base-Base interactions energy: -43.858
where: short stacking energy: -38.183
Base-Backbone interact. energy: -0.151
local terms energy: -52.586942
where:
bonds (distance) C4'-P energy: -9.084
bonds (distance) P-C4' energy: -13.766
flat angles C4'-P-C4' energy: -12.114
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -8.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -78.630957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.630957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.630957 (E_RNA)
where:
Base-Base interactions energy: -29.913
where: short stacking energy: -28.112
Base-Backbone interact. energy: -0.962
local terms energy: -47.755484
where:
bonds (distance) C4'-P energy: -10.944
bonds (distance) P-C4' energy: -9.664
flat angles C4'-P-C4' energy: -13.879
flat angles P-C4'-P energy: -7.559
tors. eta vs tors. theta energy: -5.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -84.053103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.053103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.053103 (E_RNA)
where:
Base-Base interactions energy: -35.987
where: short stacking energy: -20.776
Base-Backbone interact. energy: -0.200
local terms energy: -47.865823
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -10.719
flat angles P-C4'-P energy: -9.640
tors. eta vs tors. theta energy: -0.729
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: 1, replica: 2
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -186.886093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.886093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.886093 (E_RNA)
where:
Base-Base interactions energy: -115.038
where: short stacking energy: -62.227
Base-Backbone interact. energy: -0.070
local terms energy: -71.778720
where:
bonds (distance) C4'-P energy: -13.559
bonds (distance) P-C4' energy: -13.760
flat angles C4'-P-C4' energy: -15.486
flat angles P-C4'-P energy: -13.189
tors. eta vs tors. theta energy: -15.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -133.516929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.516929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.516929 (E_RNA)
where:
Base-Base interactions energy: -62.388
where: short stacking energy: -62.388
Base-Backbone interact. energy: -0.002
local terms energy: -71.126491
where:
bonds (distance) C4'-P energy: -17.340
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -14.068
flat angles P-C4'-P energy: -6.762
tors. eta vs tors. theta energy: -15.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -132.080944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.080944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.080944 (E_RNA)
where:
Base-Base interactions energy: -55.927
where: short stacking energy: -55.927
Base-Backbone interact. energy: -0.001
local terms energy: -76.152610
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -15.517
flat angles C4'-P-C4' energy: -13.633
flat angles P-C4'-P energy: -12.572
tors. eta vs tors. theta energy: -19.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -156.601940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.601940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.601940 (E_RNA)
where:
Base-Base interactions energy: -88.685
where: short stacking energy: -55.076
Base-Backbone interact. energy: -0.008
local terms energy: -67.908299
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -16.973
flat angles P-C4'-P energy: -8.685
tors. eta vs tors. theta energy: -13.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -101.890899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.890899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.890899 (E_RNA)
where:
Base-Base interactions energy: -45.034
where: short stacking energy: -38.296
Base-Backbone interact. energy: -0.182
local terms energy: -56.674915
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -13.041
flat angles C4'-P-C4' energy: -16.674
flat angles P-C4'-P energy: -10.982
tors. eta vs tors. theta energy: -1.473
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: 4
Temperature: 1.150000
Total energy: -111.214598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.214598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.214598 (E_RNA)
where:
Base-Base interactions energy: -46.893
where: short stacking energy: -43.182
Base-Backbone interact. energy: -0.054
local terms energy: -64.267925
where:
bonds (distance) C4'-P energy: -9.441
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -13.392
flat angles P-C4'-P energy: -10.957
tors. eta vs tors. theta energy: -12.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -91.539584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.539584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.539584 (E_RNA)
where:
Base-Base interactions energy: -40.718
where: short stacking energy: -40.156
Base-Backbone interact. energy: 2.040
local terms energy: -52.861642
where:
bonds (distance) C4'-P energy: -14.856
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -12.342
flat angles P-C4'-P energy: -6.484
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: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -89.197395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.197395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.197395 (E_RNA)
where:
Base-Base interactions energy: -44.491
where: short stacking energy: -34.650
Base-Backbone interact. energy: -0.550
local terms energy: -44.155630
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -9.268
flat angles C4'-P-C4' energy: -11.956
flat angles P-C4'-P energy: -4.331
tors. eta vs tors. theta energy: -3.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -85.393725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.393725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.393725 (E_RNA)
where:
Base-Base interactions energy: -35.894
where: short stacking energy: -35.894
Base-Backbone interact. energy: -0.181
local terms energy: -49.318829
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -11.150
flat angles C4'-P-C4' energy: -12.907
flat angles P-C4'-P energy: -3.869
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: 10, replica: 9
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -74.967394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.967394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.967394 (E_RNA)
where:
Base-Base interactions energy: -26.263
where: short stacking energy: -14.152
Base-Backbone interact. energy: -0.599
local terms energy: -48.105230
where:
bonds (distance) C4'-P energy: -7.054
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -13.961
flat angles P-C4'-P energy: -9.654
tors. eta vs tors. theta energy: -2.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -188.506693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.506693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.506693 (E_RNA)
where:
Base-Base interactions energy: -112.483
where: short stacking energy: -60.092
Base-Backbone interact. energy: -0.077
local terms energy: -75.946230
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -15.684
flat angles P-C4'-P energy: -11.247
tors. eta vs tors. theta energy: -15.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -132.764443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.764443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.764443 (E_RNA)
where:
Base-Base interactions energy: -63.720
where: short stacking energy: -50.356
Base-Backbone interact. energy: -0.102
local terms energy: -68.941999
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -15.200
flat angles P-C4'-P energy: -11.195
tors. eta vs tors. theta energy: -14.910
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: 3, replica: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -123.652012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.652012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.652012 (E_RNA)
where:
Base-Base interactions energy: -63.201
where: short stacking energy: -56.654
Base-Backbone interact. energy: -0.182
local terms energy: -60.268665
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -14.278
flat angles C4'-P-C4' energy: -15.684
flat angles P-C4'-P energy: -4.577
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: 4, replica: 5
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -161.884665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.884665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.884665 (E_RNA)
where:
Base-Base interactions energy: -96.917
where: short stacking energy: -48.349
Base-Backbone interact. energy: -0.125
local terms energy: -64.842905
where:
bonds (distance) C4'-P energy: -11.725
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -16.549
flat angles P-C4'-P energy: -10.690
tors. eta vs tors. theta energy: -10.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -113.569896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.569896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.569896 (E_RNA)
where:
Base-Base interactions energy: -50.597
where: short stacking energy: -42.678
Base-Backbone interact. energy: -0.082
local terms energy: -62.890853
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -13.185
flat angles P-C4'-P energy: -8.659
tors. eta vs tors. theta energy: -9.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -129.710174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.710174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.710174 (E_RNA)
where:
Base-Base interactions energy: -75.256
where: short stacking energy: -46.017
Base-Backbone interact. energy: -0.619
local terms energy: -53.834547
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -12.136
flat angles C4'-P-C4' energy: -18.502
flat angles P-C4'-P energy: -1.871
tors. eta vs tors. theta energy: -7.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -97.094522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.094522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.094522 (E_RNA)
where:
Base-Base interactions energy: -49.194
where: short stacking energy: -45.369
Base-Backbone interact. energy: 1.027
local terms energy: -48.927649
where:
bonds (distance) C4'-P energy: -6.175
bonds (distance) P-C4' energy: -13.313
flat angles C4'-P-C4' energy: -16.029
flat angles P-C4'-P energy: -6.675
tors. eta vs tors. theta energy: -6.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -102.926933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.926933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.926933 (E_RNA)
where:
Base-Base interactions energy: -60.720
where: short stacking energy: -40.782
Base-Backbone interact. energy: -0.002
local terms energy: -42.204686
where:
bonds (distance) C4'-P energy: -10.211
bonds (distance) P-C4' energy: -11.312
flat angles C4'-P-C4' energy: -12.843
flat angles P-C4'-P energy: -4.019
tors. eta vs tors. theta energy: -3.820
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: 6
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -88.843108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.843108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.843108 (E_RNA)
where:
Base-Base interactions energy: -45.242
where: short stacking energy: -31.458
Base-Backbone interact. energy: -0.227
local terms energy: -43.373717
where:
bonds (distance) C4'-P energy: -7.955
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -9.439
flat angles P-C4'-P energy: -6.434
tors. eta vs tors. theta energy: -4.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -77.999418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.999418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.999418 (E_RNA)
where:
Base-Base interactions energy: -34.570
where: short stacking energy: -14.441
Base-Backbone interact. energy: -0.619
local terms energy: -42.810887
where:
bonds (distance) C4'-P energy: -9.713
bonds (distance) P-C4' energy: -8.228
flat angles C4'-P-C4' energy: -13.280
flat angles P-C4'-P energy: -10.734
tors. eta vs tors. theta energy: -0.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -200.462844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.462844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.462844 (E_RNA)
where:
Base-Base interactions energy: -128.213
where: short stacking energy: -65.202
Base-Backbone interact. energy: -0.005
local terms energy: -72.245303
where:
bonds (distance) C4'-P energy: -13.197
bonds (distance) P-C4' energy: -12.568
flat angles C4'-P-C4' energy: -15.225
flat angles P-C4'-P energy: -11.263
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: 3
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -126.770748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.770748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.770748 (E_RNA)
where:
Base-Base interactions energy: -61.609
where: short stacking energy: -45.361
Base-Backbone interact. energy: 2.852
local terms energy: -68.013782
where:
bonds (distance) C4'-P energy: -15.014
bonds (distance) P-C4' energy: -14.911
flat angles C4'-P-C4' energy: -15.215
flat angles P-C4'-P energy: -11.590
tors. eta vs tors. theta energy: -11.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -175.106452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.106452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.106452 (E_RNA)
where:
Base-Base interactions energy: -110.984
where: short stacking energy: -55.726
Base-Backbone interact. energy: -0.068
local terms energy: -64.053775
where:
bonds (distance) C4'-P energy: -10.002
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -14.324
flat angles P-C4'-P energy: -11.666
tors. eta vs tors. theta energy: -11.712
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: 1
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -129.531970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.531970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.531970 (E_RNA)
where:
Base-Base interactions energy: -75.810
where: short stacking energy: -38.391
Base-Backbone interact. energy: -0.897
local terms energy: -52.824467
where:
bonds (distance) C4'-P energy: -11.748
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -12.335
flat angles P-C4'-P energy: -7.435
tors. eta vs tors. theta energy: -3.353
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: 5, replica: 8
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -114.240664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.240664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.240664 (E_RNA)
where:
Base-Base interactions energy: -70.895
where: short stacking energy: -51.803
Base-Backbone interact. energy: -0.030
local terms energy: -43.316383
where:
bonds (distance) C4'-P energy: -11.196
bonds (distance) P-C4' energy: -8.795
flat angles C4'-P-C4' energy: -14.266
flat angles P-C4'-P energy: -4.198
tors. eta vs tors. theta energy: -4.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -94.287307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.287307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.287307 (E_RNA)
where:
Base-Base interactions energy: -38.385
where: short stacking energy: -34.505
Base-Backbone interact. energy: 2.136
local terms energy: -58.037862
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -13.671
flat angles C4'-P-C4' energy: -13.222
flat angles P-C4'-P energy: -7.291
tors. eta vs tors. theta energy: -9.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -94.431343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.431343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.431343 (E_RNA)
where:
Base-Base interactions energy: -38.797
where: short stacking energy: -30.358
Base-Backbone interact. energy: -0.049
local terms energy: -55.584986
where:
bonds (distance) C4'-P energy: -11.537
bonds (distance) P-C4' energy: -15.500
flat angles C4'-P-C4' energy: -14.054
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -4.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -85.023170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.023170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.023170 (E_RNA)
where:
Base-Base interactions energy: -29.389
where: short stacking energy: -17.661
Base-Backbone interact. energy: -0.960
local terms energy: -54.673603
where:
bonds (distance) C4'-P energy: -13.712
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -14.683
flat angles P-C4'-P energy: -11.880
tors. eta vs tors. theta energy: -0.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -87.050348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.050348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.050348 (E_RNA)
where:
Base-Base interactions energy: -36.400
where: short stacking energy: -26.234
Base-Backbone interact. energy: -0.179
local terms energy: -50.470791
where:
bonds (distance) C4'-P energy: -9.938
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -11.234
flat angles P-C4'-P energy: -7.770
tors. eta vs tors. theta energy: -5.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -78.664295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.664295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.664295 (E_RNA)
where:
Base-Base interactions energy: -25.595
where: short stacking energy: -23.418
Base-Backbone interact. energy: -0.069
local terms energy: -53.001001
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -11.842
flat angles P-C4'-P energy: -6.162
tors. eta vs tors. theta energy: -4.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -201.573761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.573761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.573761 (E_RNA)
where:
Base-Base interactions energy: -124.538
where: short stacking energy: -61.619
Base-Backbone interact. energy: -0.001
local terms energy: -77.034627
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -17.328
flat angles C4'-P-C4' energy: -17.012
flat angles P-C4'-P energy: -11.029
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: 2, replica: 5
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -183.063022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.063022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.063022 (E_RNA)
where:
Base-Base interactions energy: -108.096
where: short stacking energy: -63.276
Base-Backbone interact. energy: -0.020
local terms energy: -74.947463
where:
bonds (distance) C4'-P energy: -16.459
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -14.752
flat angles P-C4'-P energy: -11.766
tors. eta vs tors. theta energy: -15.476
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: 3
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -111.677996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.677996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.677996 (E_RNA)
where:
Base-Base interactions energy: -47.857
where: short stacking energy: -37.086
Base-Backbone interact. energy: -0.543
local terms energy: -63.277998
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -14.579
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -11.251
tors. eta vs tors. theta energy: -6.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -141.653961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.653961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.653961 (E_RNA)
where:
Base-Base interactions energy: -76.202
where: short stacking energy: -54.089
Base-Backbone interact. energy: -0.119
local terms energy: -65.333337
where:
bonds (distance) C4'-P energy: -10.716
bonds (distance) P-C4' energy: -17.166
flat angles C4'-P-C4' energy: -13.229
flat angles P-C4'-P energy: -12.488
tors. eta vs tors. theta energy: -11.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -132.485279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.485279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.485279 (E_RNA)
where:
Base-Base interactions energy: -72.422
where: short stacking energy: -31.315
Base-Backbone interact. energy: -1.589
local terms energy: -58.474310
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -15.801
flat angles P-C4'-P energy: -5.148
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: 6, replica: 10
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -117.114471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.114471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.114471 (E_RNA)
where:
Base-Base interactions energy: -58.856
where: short stacking energy: -42.255
Base-Backbone interact. energy: 0.043
local terms energy: -58.301757
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -14.157
flat angles C4'-P-C4' energy: -14.154
flat angles P-C4'-P energy: -7.314
tors. eta vs tors. theta energy: -9.150
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: 7, replica: 4
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -91.092389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.092389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.092389 (E_RNA)
where:
Base-Base interactions energy: -37.485
where: short stacking energy: -37.485
Base-Backbone interact. energy: -0.317
local terms energy: -53.290981
where:
bonds (distance) C4'-P energy: -17.005
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -13.295
flat angles P-C4'-P energy: -7.544
tors. eta vs tors. theta energy: -1.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -84.840706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.840706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.840706 (E_RNA)
where:
Base-Base interactions energy: -36.980
where: short stacking energy: -28.715
Base-Backbone interact. energy: 1.660
local terms energy: -49.520180
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -13.897
flat angles C4'-P-C4' energy: -11.367
flat angles P-C4'-P energy: -9.630
tors. eta vs tors. theta energy: 0.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -78.358493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.358493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.358493 (E_RNA)
where:
Base-Base interactions energy: -40.477
where: short stacking energy: -21.754
Base-Backbone interact. energy: -1.167
local terms energy: -36.714868
where:
bonds (distance) C4'-P energy: -11.614
bonds (distance) P-C4' energy: -4.912
flat angles C4'-P-C4' energy: -16.607
flat angles P-C4'-P energy: -5.310
tors. eta vs tors. theta energy: 1.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -76.494896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.494896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.494896 (E_RNA)
where:
Base-Base interactions energy: -34.024
where: short stacking energy: -31.810
Base-Backbone interact. energy: -0.010
local terms energy: -42.460808
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -10.500
flat angles C4'-P-C4' energy: -16.113
flat angles P-C4'-P energy: 1.069
tors. eta vs tors. theta energy: -3.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -191.981931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.981931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.981931 (E_RNA)
where:
Base-Base interactions energy: -118.033
where: short stacking energy: -67.571
Base-Backbone interact. energy: -0.271
local terms energy: -73.677821
where:
bonds (distance) C4'-P energy: -15.453
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -16.621
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: -16.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -182.448448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.448448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.448448 (E_RNA)
where:
Base-Base interactions energy: -105.821
where: short stacking energy: -65.927
Base-Backbone interact. energy: -0.024
local terms energy: -76.603828
where:
bonds (distance) C4'-P energy: -17.736
bonds (distance) P-C4' energy: -17.883
flat angles C4'-P-C4' energy: -13.961
flat angles P-C4'-P energy: -10.406
tors. eta vs tors. theta energy: -16.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -162.547972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.547972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.547972 (E_RNA)
where:
Base-Base interactions energy: -97.348
where: short stacking energy: -63.853
Base-Backbone interact. energy: -0.038
local terms energy: -65.161751
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -12.292
flat angles C4'-P-C4' energy: -14.699
flat angles P-C4'-P energy: -10.126
tors. eta vs tors. theta energy: -15.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -119.855850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.855850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.855850 (E_RNA)
where:
Base-Base interactions energy: -56.427
where: short stacking energy: -53.774
Base-Backbone interact. energy: -0.068
local terms energy: -63.360982
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -15.384
flat angles C4'-P-C4' energy: -14.422
flat angles P-C4'-P energy: -9.402
tors. eta vs tors. theta energy: -9.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -104.700460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.700460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.700460 (E_RNA)
where:
Base-Base interactions energy: -44.356
where: short stacking energy: -38.963
Base-Backbone interact. energy: -0.082
local terms energy: -60.261609
where:
bonds (distance) C4'-P energy: -9.974
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -17.306
flat angles P-C4'-P energy: -8.990
tors. eta vs tors. theta energy: -8.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -101.975335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.975335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.975335 (E_RNA)
where:
Base-Base interactions energy: -45.509
where: short stacking energy: -35.641
Base-Backbone interact. energy: -0.093
local terms energy: -56.372622
where:
bonds (distance) C4'-P energy: -12.448
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -15.939
flat angles P-C4'-P energy: -9.620
tors. eta vs tors. theta energy: -3.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -92.866638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.866638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.866638 (E_RNA)
where:
Base-Base interactions energy: -36.356
where: short stacking energy: -36.356
Base-Backbone interact. energy: -0.005
local terms energy: -56.506068
where:
bonds (distance) C4'-P energy: -11.771
bonds (distance) P-C4' energy: -15.017
flat angles C4'-P-C4' energy: -12.046
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -8.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -96.192732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.192732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.192732 (E_RNA)
where:
Base-Base interactions energy: -42.303
where: short stacking energy: -40.485
Base-Backbone interact. energy: -0.035
local terms energy: -53.855537
where:
bonds (distance) C4'-P energy: -7.177
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -9.898
flat angles P-C4'-P energy: -7.960
tors. eta vs tors. theta energy: -13.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -84.894817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.894817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.894817 (E_RNA)
where:
Base-Base interactions energy: -35.286
where: short stacking energy: -32.059
Base-Backbone interact. energy: -0.008
local terms energy: -49.600754
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -15.495
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -5.649
tors. eta vs tors. theta energy: -1.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -87.799071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.799071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.799071 (E_RNA)
where:
Base-Base interactions energy: -37.609
where: short stacking energy: -33.173
Base-Backbone interact. energy: -0.077
local terms energy: -50.112873
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -9.182
flat angles C4'-P-C4' energy: -10.411
flat angles P-C4'-P energy: -10.440
tors. eta vs tors. theta energy: -8.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -196.253026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.253026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.253026 (E_RNA)
where:
Base-Base interactions energy: -126.959
where: short stacking energy: -57.816
Base-Backbone interact. energy: -0.568
local terms energy: -68.726496
where:
bonds (distance) C4'-P energy: -15.641
bonds (distance) P-C4' energy: -14.739
flat angles C4'-P-C4' energy: -12.660
flat angles P-C4'-P energy: -10.357
tors. eta vs tors. theta energy: -15.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -183.379081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.379081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.379081 (E_RNA)
where:
Base-Base interactions energy: -108.011
where: short stacking energy: -69.929
Base-Backbone interact. energy: -0.015
local terms energy: -75.353985
where:
bonds (distance) C4'-P energy: -15.223
bonds (distance) P-C4' energy: -13.551
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -13.345
tors. eta vs tors. theta energy: -18.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -162.084070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.084070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.084070 (E_RNA)
where:
Base-Base interactions energy: -95.198
where: short stacking energy: -53.389
Base-Backbone interact. energy: -0.064
local terms energy: -66.821520
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -13.052
flat angles P-C4'-P energy: -9.825
tors. eta vs tors. theta energy: -13.638
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: 10
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -101.107394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.107394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.107394 (E_RNA)
where:
Base-Base interactions energy: -56.615
where: short stacking energy: -43.480
Base-Backbone interact. energy: 0.826
local terms energy: -45.318126
where:
bonds (distance) C4'-P energy: -10.166
bonds (distance) P-C4' energy: -12.077
flat angles C4'-P-C4' energy: -7.255
flat angles P-C4'-P energy: -5.933
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: 5, replica: 3
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -96.531644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.531644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.531644 (E_RNA)
where:
Base-Base interactions energy: -44.157
where: short stacking energy: -34.254
Base-Backbone interact. energy: -0.083
local terms energy: -52.290988
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -8.053
flat angles C4'-P-C4' energy: -13.024
flat angles P-C4'-P energy: -8.975
tors. eta vs tors. theta energy: -7.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -108.264624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.264624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.264624 (E_RNA)
where:
Base-Base interactions energy: -46.803
where: short stacking energy: -46.719
Base-Backbone interact. energy: -0.071
local terms energy: -61.389859
where:
bonds (distance) C4'-P energy: -16.194
bonds (distance) P-C4' energy: -14.559
flat angles C4'-P-C4' energy: -13.364
flat angles P-C4'-P energy: -2.122
tors. eta vs tors. theta energy: -15.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -99.177982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.177982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.177982 (E_RNA)
where:
Base-Base interactions energy: -42.162
where: short stacking energy: -42.162
Base-Backbone interact. energy: -0.027
local terms energy: -56.989014
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -11.145
flat angles P-C4'-P energy: -7.082
tors. eta vs tors. theta energy: -8.776
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: 6
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -85.635484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.635484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.635484 (E_RNA)
where:
Base-Base interactions energy: -39.069
where: short stacking energy: -37.346
Base-Backbone interact. energy: 1.214
local terms energy: -47.780980
where:
bonds (distance) C4'-P energy: -9.948
bonds (distance) P-C4' energy: -9.065
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -7.873
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: 9, replica: 9
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -91.405772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.405772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.405772 (E_RNA)
where:
Base-Base interactions energy: -42.191
where: short stacking energy: -38.016
Base-Backbone interact. energy: -0.009
local terms energy: -49.205413
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -5.836
flat angles P-C4'-P energy: -8.366
tors. eta vs tors. theta energy: -7.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -82.598940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.598940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.598940 (E_RNA)
where:
Base-Base interactions energy: -31.880
where: short stacking energy: -26.790
Base-Backbone interact. energy: -0.455
local terms energy: -50.264767
where:
bonds (distance) C4'-P energy: -11.334
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -9.018
flat angles P-C4'-P energy: -9.680
tors. eta vs tors. theta energy: -6.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -202.650565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.650565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.650565 (E_RNA)
where:
Base-Base interactions energy: -128.513
where: short stacking energy: -54.217
Base-Backbone interact. energy: -0.132
local terms energy: -74.004926
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -15.653
flat angles P-C4'-P energy: -14.020
tors. eta vs tors. theta energy: -13.801
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: 5
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -181.794157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.794157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.794157 (E_RNA)
where:
Base-Base interactions energy: -115.339
where: short stacking energy: -61.742
Base-Backbone interact. energy: -0.005
local terms energy: -66.450258
where:
bonds (distance) C4'-P energy: -12.187
bonds (distance) P-C4' energy: -15.419
flat angles C4'-P-C4' energy: -13.997
flat angles P-C4'-P energy: -8.521
tors. eta vs tors. theta energy: -16.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -160.233190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.233190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.233190 (E_RNA)
where:
Base-Base interactions energy: -92.530
where: short stacking energy: -53.433
Base-Backbone interact. energy: -1.413
local terms energy: -66.290508
where:
bonds (distance) C4'-P energy: -10.336
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -15.533
flat angles P-C4'-P energy: -12.345
tors. eta vs tors. theta energy: -9.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -101.593951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.593951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.593951 (E_RNA)
where:
Base-Base interactions energy: -34.520
where: short stacking energy: -32.927
Base-Backbone interact. energy: -0.079
local terms energy: -66.994927
where:
bonds (distance) C4'-P energy: -16.176
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -14.273
flat angles P-C4'-P energy: -10.498
tors. eta vs tors. theta energy: -7.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -94.336654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.336654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.336654 (E_RNA)
where:
Base-Base interactions energy: -35.138
where: short stacking energy: -34.757
Base-Backbone interact. energy: 0.198
local terms energy: -59.397175
where:
bonds (distance) C4'-P energy: -13.053
bonds (distance) P-C4' energy: -11.510
flat angles C4'-P-C4' energy: -15.278
flat angles P-C4'-P energy: -11.908
tors. eta vs tors. theta energy: -7.649
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: 3
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -91.787494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.787494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.787494 (E_RNA)
where:
Base-Base interactions energy: -38.684
where: short stacking energy: -38.269
Base-Backbone interact. energy: -0.211
local terms energy: -52.892381
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -13.659
flat angles P-C4'-P energy: -5.735
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: 7, replica: 6
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -94.756885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.756885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.756885 (E_RNA)
where:
Base-Base interactions energy: -40.026
where: short stacking energy: -28.962
Base-Backbone interact. energy: -0.141
local terms energy: -54.589266
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -13.555
flat angles P-C4'-P energy: -6.426
tors. eta vs tors. theta energy: -7.047
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: 1
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -91.875504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.875504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.875504 (E_RNA)
where:
Base-Base interactions energy: -39.512
where: short stacking energy: -24.876
Base-Backbone interact. energy: -0.985
local terms energy: -51.378608
where:
bonds (distance) C4'-P energy: -12.893
bonds (distance) P-C4' energy: -15.922
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -4.669
tors. eta vs tors. theta energy: -3.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -92.342453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.342453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.342453 (E_RNA)
where:
Base-Base interactions energy: -43.376
where: short stacking energy: -38.206
Base-Backbone interact. energy: -0.028
local terms energy: -48.938743
where:
bonds (distance) C4'-P energy: -14.779
bonds (distance) P-C4' energy: -12.128
flat angles C4'-P-C4' energy: -6.781
flat angles P-C4'-P energy: -8.855
tors. eta vs tors. theta energy: -6.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -84.998288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.998288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.998288 (E_RNA)
where:
Base-Base interactions energy: -35.043
where: short stacking energy: -28.659
Base-Backbone interact. energy: -0.106
local terms energy: -49.849048
where:
bonds (distance) C4'-P energy: -9.258
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -12.723
flat angles P-C4'-P energy: -10.528
tors. eta vs tors. theta energy: -1.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -210.644024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.644024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.644024 (E_RNA)
where:
Base-Base interactions energy: -140.639
where: short stacking energy: -59.985
Base-Backbone interact. energy: 0.189
local terms energy: -70.194107
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -15.804
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -13.175
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: 5
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -172.272519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.272519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.272519 (E_RNA)
where:
Base-Base interactions energy: -98.862
where: short stacking energy: -54.723
Base-Backbone interact. energy: 1.182
local terms energy: -74.591832
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -14.439
flat angles P-C4'-P energy: -11.756
tors. eta vs tors. theta energy: -16.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -165.721539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.721539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.721539 (E_RNA)
where:
Base-Base interactions energy: -105.789
where: short stacking energy: -50.853
Base-Backbone interact. energy: -0.078
local terms energy: -59.853986
where:
bonds (distance) C4'-P energy: -12.260
bonds (distance) P-C4' energy: -13.229
flat angles C4'-P-C4' energy: -13.802
flat angles P-C4'-P energy: -11.565
tors. eta vs tors. theta energy: -8.997
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: 4
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -149.967321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.967321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.967321 (E_RNA)
where:
Base-Base interactions energy: -82.491
where: short stacking energy: -53.617
Base-Backbone interact. energy: 1.432
local terms energy: -68.907649
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -16.767
flat angles C4'-P-C4' energy: -16.175
flat angles P-C4'-P energy: -7.408
tors. eta vs tors. theta energy: -14.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -101.637024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.637024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.637024 (E_RNA)
where:
Base-Base interactions energy: -43.830
where: short stacking energy: -43.830
Base-Backbone interact. energy: -0.055
local terms energy: -57.751295
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -13.288
flat angles P-C4'-P energy: -9.675
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: 6
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -108.083859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.083859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.083859 (E_RNA)
where:
Base-Base interactions energy: -59.933
where: short stacking energy: -48.633
Base-Backbone interact. energy: -1.040
local terms energy: -47.110631
where:
bonds (distance) C4'-P energy: -6.858
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -6.325
tors. eta vs tors. theta energy: -7.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -88.479955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.479955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.479955 (E_RNA)
where:
Base-Base interactions energy: -40.061
where: short stacking energy: -33.109
Base-Backbone interact. energy: -0.486
local terms energy: -47.933222
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -14.244
flat angles P-C4'-P energy: -6.993
tors. eta vs tors. theta energy: 0.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -83.563652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.563652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.563652 (E_RNA)
where:
Base-Base interactions energy: -28.302
where: short stacking energy: -27.475
Base-Backbone interact. energy: -0.242
local terms energy: -55.019395
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -11.112
flat angles P-C4'-P energy: -10.913
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: 1
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -88.093130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.093130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.093130 (E_RNA)
where:
Base-Base interactions energy: -38.960
where: short stacking energy: -35.178
Base-Backbone interact. energy: -0.461
local terms energy: -48.672126
where:
bonds (distance) C4'-P energy: -13.404
bonds (distance) P-C4' energy: -12.379
flat angles C4'-P-C4' energy: -12.981
flat angles P-C4'-P energy: -5.168
tors. eta vs tors. theta energy: -4.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -71.740663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.740663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.740663 (E_RNA)
where:
Base-Base interactions energy: -24.569
where: short stacking energy: -24.569
Base-Backbone interact. energy: -0.085
local terms energy: -47.086721
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -16.271
flat angles C4'-P-C4' energy: -11.983
flat angles P-C4'-P energy: -2.210
tors. eta vs tors. theta energy: -3.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -206.147680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.147680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.147680 (E_RNA)
where:
Base-Base interactions energy: -124.938
where: short stacking energy: -70.356
Base-Backbone interact. energy: -0.001
local terms energy: -81.208642
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -15.341
flat angles C4'-P-C4' energy: -15.997
flat angles P-C4'-P energy: -10.580
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: 2, replica: 2
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -193.404046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.404046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.404046 (E_RNA)
where:
Base-Base interactions energy: -124.246
where: short stacking energy: -54.419
Base-Backbone interact. energy: -0.126
local terms energy: -69.032025
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -16.939
flat angles P-C4'-P energy: -12.354
tors. eta vs tors. theta energy: -11.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -148.837137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.837137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.837137 (E_RNA)
where:
Base-Base interactions energy: -86.254
where: short stacking energy: -44.894
Base-Backbone interact. energy: -0.541
local terms energy: -62.042403
where:
bonds (distance) C4'-P energy: -12.363
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -13.520
flat angles P-C4'-P energy: -10.533
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: 4, replica: 8
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -159.239091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.239091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.239091 (E_RNA)
where:
Base-Base interactions energy: -97.570
where: short stacking energy: -51.781
Base-Backbone interact. energy: -0.033
local terms energy: -61.635758
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -8.959
flat angles P-C4'-P energy: -8.527
tors. eta vs tors. theta energy: -15.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -145.650706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.650706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.650706 (E_RNA)
where:
Base-Base interactions energy: -82.632
where: short stacking energy: -45.251
Base-Backbone interact. energy: -0.861
local terms energy: -62.157416
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -14.231
flat angles C4'-P-C4' energy: -10.717
flat angles P-C4'-P energy: -14.042
tors. eta vs tors. theta energy: -11.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -91.089480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.089480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.089480 (E_RNA)
where:
Base-Base interactions energy: -39.304
where: short stacking energy: -30.150
Base-Backbone interact. energy: -0.036
local terms energy: -51.749316
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -12.767
flat angles C4'-P-C4' energy: -16.134
flat angles P-C4'-P energy: -8.585
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: 7, replica: 9
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -84.431931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.431931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.431931 (E_RNA)
where:
Base-Base interactions energy: -30.372
where: short stacking energy: -30.372
Base-Backbone interact. energy: -0.195
local terms energy: -53.865109
where:
bonds (distance) C4'-P energy: -12.639
bonds (distance) P-C4' energy: -13.745
flat angles C4'-P-C4' energy: -10.244
flat angles P-C4'-P energy: -10.572
tors. eta vs tors. theta energy: -6.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -85.381060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.381060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.381060 (E_RNA)
where:
Base-Base interactions energy: -32.984
where: short stacking energy: -31.575
Base-Backbone interact. energy: -0.209
local terms energy: -52.187859
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -12.929
flat angles C4'-P-C4' energy: -12.778
flat angles P-C4'-P energy: -9.667
tors. eta vs tors. theta energy: -3.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -108.782596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.782596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.782596 (E_RNA)
where:
Base-Base interactions energy: -53.430
where: short stacking energy: -41.300
Base-Backbone interact. energy: 0.032
local terms energy: -55.384592
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -15.798
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -4.079
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: 10, replica: 1
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -80.401514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.401514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.401514 (E_RNA)
where:
Base-Base interactions energy: -31.214
where: short stacking energy: -24.640
Base-Backbone interact. energy: -0.440
local terms energy: -48.748197
where:
bonds (distance) C4'-P energy: -12.170
bonds (distance) P-C4' energy: -13.598
flat angles C4'-P-C4' energy: -10.548
flat angles P-C4'-P energy: -9.060
tors. eta vs tors. theta energy: -3.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -201.160282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.160282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.160282 (E_RNA)
where:
Base-Base interactions energy: -121.963
where: short stacking energy: -67.997
Base-Backbone interact. energy: -0.069
local terms energy: -79.127935
where:
bonds (distance) C4'-P energy: -17.183
bonds (distance) P-C4' energy: -14.497
flat angles C4'-P-C4' energy: -16.630
flat angles P-C4'-P energy: -10.232
tors. eta vs tors. theta energy: -20.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -187.028923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.028923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.028923 (E_RNA)
where:
Base-Base interactions energy: -118.167
where: short stacking energy: -60.918
Base-Backbone interact. energy: -0.144
local terms energy: -68.717868
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -17.544
flat angles C4'-P-C4' energy: -11.475
flat angles P-C4'-P energy: -12.598
tors. eta vs tors. theta energy: -10.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -158.223795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.223795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.223795 (E_RNA)
where:
Base-Base interactions energy: -93.280
where: short stacking energy: -42.839
Base-Backbone interact. energy: -0.753
local terms energy: -64.190705
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -16.255
flat angles P-C4'-P energy: -10.807
tors. eta vs tors. theta energy: -9.167
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: 8
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -156.150591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.150591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.150591 (E_RNA)
where:
Base-Base interactions energy: -88.703
where: short stacking energy: -55.723
Base-Backbone interact. energy: -0.601
local terms energy: -66.846909
where:
bonds (distance) C4'-P energy: -12.024
bonds (distance) P-C4' energy: -13.704
flat angles C4'-P-C4' energy: -14.825
flat angles P-C4'-P energy: -12.282
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: 13
Temperature: 1.100000
Total energy: -133.229173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.229173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.229173 (E_RNA)
where:
Base-Base interactions energy: -81.064
where: short stacking energy: -47.685
Base-Backbone interact. energy: -0.158
local terms energy: -52.007189
where:
bonds (distance) C4'-P energy: -10.816
bonds (distance) P-C4' energy: -11.859
flat angles C4'-P-C4' energy: -13.732
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: -5.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -107.170004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.170004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.170004 (E_RNA)
where:
Base-Base interactions energy: -43.167
where: short stacking energy: -42.735
Base-Backbone interact. energy: -0.034
local terms energy: -63.969238
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -16.433
flat angles C4'-P-C4' energy: -14.292
flat angles P-C4'-P energy: -8.325
tors. eta vs tors. theta energy: -11.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -100.678427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.678427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.678427 (E_RNA)
where:
Base-Base interactions energy: -48.249
where: short stacking energy: -43.136
Base-Backbone interact. energy: -0.209
local terms energy: -52.220905
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -8.264
flat angles C4'-P-C4' energy: -14.075
flat angles P-C4'-P energy: -8.738
tors. eta vs tors. theta energy: -5.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -88.217043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.217043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.217043 (E_RNA)
where:
Base-Base interactions energy: -39.405
where: short stacking energy: -35.755
Base-Backbone interact. energy: -0.183
local terms energy: -48.629092
where:
bonds (distance) C4'-P energy: -7.201
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -11.514
tors. eta vs tors. theta energy: -0.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -88.114146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.114146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.114146 (E_RNA)
where:
Base-Base interactions energy: -38.479
where: short stacking energy: -31.502
Base-Backbone interact. energy: 0.085
local terms energy: -49.720166
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -11.094
flat angles P-C4'-P energy: -7.082
tors. eta vs tors. theta energy: -5.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -78.733877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.733877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.733877 (E_RNA)
where:
Base-Base interactions energy: -23.614
where: short stacking energy: -22.048
Base-Backbone interact. energy: -0.135
local terms energy: -54.985251
where:
bonds (distance) C4'-P energy: -8.270
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -10.131
tors. eta vs tors. theta energy: -5.320
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: 1, replica: 5
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -196.235974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.235974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.235974 (E_RNA)
where:
Base-Base interactions energy: -121.010
where: short stacking energy: -72.299
Base-Backbone interact. energy: -0.222
local terms energy: -75.003774
where:
bonds (distance) C4'-P energy: -9.722
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -16.248
flat angles P-C4'-P energy: -10.723
tors. eta vs tors. theta energy: -20.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -205.884888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.884888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.884888 (E_RNA)
where:
Base-Base interactions energy: -130.840
where: short stacking energy: -60.794
Base-Backbone interact. energy: -0.063
local terms energy: -74.981871
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -16.934
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -12.379
tors. eta vs tors. theta energy: -15.418
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: 3, replica: 8
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -169.834137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.834137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.834137 (E_RNA)
where:
Base-Base interactions energy: -96.815
where: short stacking energy: -61.121
Base-Backbone interact. energy: -0.124
local terms energy: -72.895007
where:
bonds (distance) C4'-P energy: -14.346
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -16.188
flat angles P-C4'-P energy: -10.696
tors. eta vs tors. theta energy: -13.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -128.891686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.891686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.891686 (E_RNA)
where:
Base-Base interactions energy: -79.766
where: short stacking energy: -34.157
Base-Backbone interact. energy: 2.315
local terms energy: -51.440931
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -12.725
flat angles C4'-P-C4' energy: -9.998
flat angles P-C4'-P energy: -9.269
tors. eta vs tors. theta energy: -3.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -106.433816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.433816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.433816 (E_RNA)
where:
Base-Base interactions energy: -49.580
where: short stacking energy: -41.310
Base-Backbone interact. energy: -0.185
local terms energy: -56.668968
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -13.062
flat angles P-C4'-P energy: -8.585
tors. eta vs tors. theta energy: -4.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -99.413012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.413012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.413012 (E_RNA)
where:
Base-Base interactions energy: -37.191
where: short stacking energy: -25.197
Base-Backbone interact. energy: -1.223
local terms energy: -60.999438
where:
bonds (distance) C4'-P energy: -11.453
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -15.832
flat angles P-C4'-P energy: -11.281
tors. eta vs tors. theta energy: -6.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -104.420013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.420013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.420013 (E_RNA)
where:
Base-Base interactions energy: -51.534
where: short stacking energy: -47.929
Base-Backbone interact. energy: 4.839
local terms energy: -57.725020
where:
bonds (distance) C4'-P energy: -14.797
bonds (distance) P-C4' energy: -12.931
flat angles C4'-P-C4' energy: -12.853
flat angles P-C4'-P energy: -6.459
tors. eta vs tors. theta energy: -10.686
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: 7
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -84.550779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.550779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.550779 (E_RNA)
where:
Base-Base interactions energy: -37.471
where: short stacking energy: -26.137
Base-Backbone interact. energy: -0.126
local terms energy: -46.954361
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -14.471
flat angles C4'-P-C4' energy: -14.491
flat angles P-C4'-P energy: -3.796
tors. eta vs tors. theta energy: -1.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -82.754209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.754209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.754209 (E_RNA)
where:
Base-Base interactions energy: -30.764
where: short stacking energy: -24.222
Base-Backbone interact. energy: -0.314
local terms energy: -51.676400
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -12.911
flat angles C4'-P-C4' energy: -15.262
flat angles P-C4'-P energy: -7.369
tors. eta vs tors. theta energy: -3.008
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: 1
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -78.651065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.651065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.651065 (E_RNA)
where:
Base-Base interactions energy: -24.909
where: short stacking energy: -24.909
Base-Backbone interact. energy: 0.872
local terms energy: -54.614395
where:
bonds (distance) C4'-P energy: -13.774
bonds (distance) P-C4' energy: -16.004
flat angles C4'-P-C4' energy: -13.467
flat angles P-C4'-P energy: -7.417
tors. eta vs tors. theta energy: -3.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -206.848993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.848993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.848993 (E_RNA)
where:
Base-Base interactions energy: -127.330
where: short stacking energy: -72.426
Base-Backbone interact. energy: -0.003
local terms energy: -79.516159
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -15.750
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -12.588
tors. eta vs tors. theta energy: -18.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -202.995577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.995577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.995577 (E_RNA)
where:
Base-Base interactions energy: -130.472
where: short stacking energy: -60.525
Base-Backbone interact. energy: -0.050
local terms energy: -72.472944
where:
bonds (distance) C4'-P energy: -16.015
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -10.622
flat angles P-C4'-P energy: -11.832
tors. eta vs tors. theta energy: -16.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -164.047583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.047583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.047583 (E_RNA)
where:
Base-Base interactions energy: -95.988
where: short stacking energy: -57.906
Base-Backbone interact. energy: -0.633
local terms energy: -67.426849
where:
bonds (distance) C4'-P energy: -13.148
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -14.628
flat angles P-C4'-P energy: -7.144
tors. eta vs tors. theta energy: -14.795
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: 4
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -135.315069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.315069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.315069 (E_RNA)
where:
Base-Base interactions energy: -80.744
where: short stacking energy: -55.399
Base-Backbone interact. energy: -0.322
local terms energy: -54.249327
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -11.306
flat angles C4'-P-C4' energy: -15.083
flat angles P-C4'-P energy: -4.734
tors. eta vs tors. theta energy: -9.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -104.014967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.014967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.014967 (E_RNA)
where:
Base-Base interactions energy: -47.172
where: short stacking energy: -40.207
Base-Backbone interact. energy: -0.818
local terms energy: -56.025366
where:
bonds (distance) C4'-P energy: -12.103
bonds (distance) P-C4' energy: -16.263
flat angles C4'-P-C4' energy: -12.212
flat angles P-C4'-P energy: -10.026
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: 6, replica: 10
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -100.115789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.115789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.115789 (E_RNA)
where:
Base-Base interactions energy: -41.951
where: short stacking energy: -41.951
Base-Backbone interact. energy: -0.050
local terms energy: -58.114417
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -12.064
flat angles P-C4'-P energy: -9.654
tors. eta vs tors. theta energy: -4.291
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: 6
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -101.948790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.948790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.948790 (E_RNA)
where:
Base-Base interactions energy: -43.411
where: short stacking energy: -38.381
Base-Backbone interact. energy: -0.254
local terms energy: -58.283780
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -17.102
flat angles C4'-P-C4' energy: -13.293
flat angles P-C4'-P energy: -7.997
tors. eta vs tors. theta energy: -6.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -87.731611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.731611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.731611 (E_RNA)
where:
Base-Base interactions energy: -23.666
where: short stacking energy: -23.666
Base-Backbone interact. energy: 0.456
local terms energy: -64.521942
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -14.402
flat angles P-C4'-P energy: -13.739
tors. eta vs tors. theta energy: -3.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -84.104020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.104020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.104020 (E_RNA)
where:
Base-Base interactions energy: -33.130
where: short stacking energy: -24.800
Base-Backbone interact. energy: -0.128
local terms energy: -50.846278
where:
bonds (distance) C4'-P energy: -9.482
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -12.041
flat angles P-C4'-P energy: -8.588
tors. eta vs tors. theta energy: -5.740
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: 15
Temperature: 1.350000
Total energy: -75.208506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.208506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.208506 (E_RNA)
where:
Base-Base interactions energy: -26.626
where: short stacking energy: -21.634
Base-Backbone interact. energy: 0.203
local terms energy: -48.785576
where:
bonds (distance) C4'-P energy: -14.656
bonds (distance) P-C4' energy: -13.405
flat angles C4'-P-C4' energy: -12.172
flat angles P-C4'-P energy: -10.824
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: 1, replica: 5
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -213.188420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.188420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.188420 (E_RNA)
where:
Base-Base interactions energy: -127.381
where: short stacking energy: -72.336
Base-Backbone interact. energy: -0.006
local terms energy: -85.801438
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -17.947
flat angles C4'-P-C4' energy: -17.787
flat angles P-C4'-P energy: -13.792
tors. eta vs tors. theta energy: -20.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -211.670154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.670154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.670154 (E_RNA)
where:
Base-Base interactions energy: -139.983
where: short stacking energy: -63.366
Base-Backbone interact. energy: -0.046
local terms energy: -71.640895
where:
bonds (distance) C4'-P energy: -11.888
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -15.450
flat angles P-C4'-P energy: -12.819
tors. eta vs tors. theta energy: -17.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -162.827767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.827767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.827767 (E_RNA)
where:
Base-Base interactions energy: -93.684
where: short stacking energy: -60.933
Base-Backbone interact. energy: -2.432
local terms energy: -66.711708
where:
bonds (distance) C4'-P energy: -13.906
bonds (distance) P-C4' energy: -11.725
flat angles C4'-P-C4' energy: -17.345
flat angles P-C4'-P energy: -10.959
tors. eta vs tors. theta energy: -12.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -120.764938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.764938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.764938 (E_RNA)
where:
Base-Base interactions energy: -62.169
where: short stacking energy: -45.018
Base-Backbone interact. energy: -0.928
local terms energy: -57.667599
where:
bonds (distance) C4'-P energy: -13.607
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -14.095
flat angles P-C4'-P energy: -11.855
tors. eta vs tors. theta energy: -4.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -109.755492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.755492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.755492 (E_RNA)
where:
Base-Base interactions energy: -48.354
where: short stacking energy: -44.313
Base-Backbone interact. energy: -0.442
local terms energy: -60.959605
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -10.627
flat angles C4'-P-C4' energy: -12.958
flat angles P-C4'-P energy: -13.187
tors. eta vs tors. theta energy: -8.797
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: 9
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -99.515481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.515481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.515481 (E_RNA)
where:
Base-Base interactions energy: -46.943
where: short stacking energy: -41.629
Base-Backbone interact. energy: -0.047
local terms energy: -52.524520
where:
bonds (distance) C4'-P energy: -14.377
bonds (distance) P-C4' energy: -12.363
flat angles C4'-P-C4' energy: -12.151
flat angles P-C4'-P energy: -6.838
tors. eta vs tors. theta energy: -6.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -100.336403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.336403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.336403 (E_RNA)
where:
Base-Base interactions energy: -44.141
where: short stacking energy: -26.537
Base-Backbone interact. energy: 0.494
local terms energy: -56.688903
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -15.584
flat angles C4'-P-C4' energy: -14.815
flat angles P-C4'-P energy: -8.680
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: 8, replica: 3
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -96.344580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.344580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.344580 (E_RNA)
where:
Base-Base interactions energy: -34.309
where: short stacking energy: -34.309
Base-Backbone interact. energy: -0.715
local terms energy: -61.320174
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -14.371
flat angles C4'-P-C4' energy: -16.197
flat angles P-C4'-P energy: -8.227
tors. eta vs tors. theta energy: -9.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -99.882496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.882496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.882496 (E_RNA)
where:
Base-Base interactions energy: -46.206
where: short stacking energy: -33.796
Base-Backbone interact. energy: 0.012
local terms energy: -53.688064
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -10.984
flat angles P-C4'-P energy: -11.564
tors. eta vs tors. theta energy: -1.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -90.751865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.751865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.751865 (E_RNA)
where:
Base-Base interactions energy: -41.049
where: short stacking energy: -30.083
Base-Backbone interact. energy: -0.334
local terms energy: -49.369652
where:
bonds (distance) C4'-P energy: -11.494
bonds (distance) P-C4' energy: -12.165
flat angles C4'-P-C4' energy: -14.227
flat angles P-C4'-P energy: -9.733
tors. eta vs tors. theta energy: -1.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -209.505695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.505695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.505695 (E_RNA)
where:
Base-Base interactions energy: -135.666
where: short stacking energy: -69.292
Base-Backbone interact. energy: -0.682
local terms energy: -73.157630
where:
bonds (distance) C4'-P energy: -16.628
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -17.609
flat angles P-C4'-P energy: -8.841
tors. eta vs tors. theta energy: -15.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -171.365435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.365435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.365435 (E_RNA)
where:
Base-Base interactions energy: -102.845
where: short stacking energy: -71.472
Base-Backbone interact. energy: 0.123
local terms energy: -68.643871
where:
bonds (distance) C4'-P energy: -13.108
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -14.142
flat angles P-C4'-P energy: -8.252
tors. eta vs tors. theta energy: -16.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -206.513664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.513664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.513664 (E_RNA)
where:
Base-Base interactions energy: -138.683
where: short stacking energy: -57.190
Base-Backbone interact. energy: -0.140
local terms energy: -67.690426
where:
bonds (distance) C4'-P energy: -17.050
bonds (distance) P-C4' energy: -12.938
flat angles C4'-P-C4' energy: -13.938
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: -13.606
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: 10
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -106.888540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.888540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.888540 (E_RNA)
where:
Base-Base interactions energy: -53.465
where: short stacking energy: -38.586
Base-Backbone interact. energy: -1.262
local terms energy: -52.161548
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -13.608
flat angles P-C4'-P energy: -7.936
tors. eta vs tors. theta energy: -2.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -111.635459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.635459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.635459 (E_RNA)
where:
Base-Base interactions energy: -62.206
where: short stacking energy: -37.108
Base-Backbone interact. energy: -0.154
local terms energy: -49.275992
where:
bonds (distance) C4'-P energy: -11.103
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -12.104
flat angles P-C4'-P energy: -4.731
tors. eta vs tors. theta energy: -7.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -116.061524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.061524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.061524 (E_RNA)
where:
Base-Base interactions energy: -64.612
where: short stacking energy: -32.250
Base-Backbone interact. energy: -0.334
local terms energy: -51.115368
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -11.390
flat angles C4'-P-C4' energy: -13.062
flat angles P-C4'-P energy: -2.389
tors. eta vs tors. theta energy: -10.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -90.475214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.475214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.475214 (E_RNA)
where:
Base-Base interactions energy: -44.622
where: short stacking energy: -35.967
Base-Backbone interact. energy: -0.079
local terms energy: -45.774364
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -15.008
flat angles C4'-P-C4' energy: -8.498
flat angles P-C4'-P energy: -6.755
tors. eta vs tors. theta energy: -0.587
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: 3
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -83.764151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.764151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.764151 (E_RNA)
where:
Base-Base interactions energy: -30.694
where: short stacking energy: -24.104
Base-Backbone interact. energy: -0.427
local terms energy: -52.642515
where:
bonds (distance) C4'-P energy: -10.961
bonds (distance) P-C4' energy: -16.661
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -5.757
tors. eta vs tors. theta energy: -3.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -84.467897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.467897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.467897 (E_RNA)
where:
Base-Base interactions energy: -35.301
where: short stacking energy: -33.902
Base-Backbone interact. energy: -0.053
local terms energy: -49.114146
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -9.166
flat angles P-C4'-P energy: -7.114
tors. eta vs tors. theta energy: -3.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -83.873781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.873781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.873781 (E_RNA)
where:
Base-Base interactions energy: -29.881
where: short stacking energy: -27.882
Base-Backbone interact. energy: -0.290
local terms energy: -53.702443
where:
bonds (distance) C4'-P energy: -13.923
bonds (distance) P-C4' energy: -15.151
flat angles C4'-P-C4' energy: -13.867
flat angles P-C4'-P energy: -9.389
tors. eta vs tors. theta energy: -1.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -175.840968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.840968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.840968 (E_RNA)
where:
Base-Base interactions energy: -110.867
where: short stacking energy: -61.510
Base-Backbone interact. energy: -0.008
local terms energy: -64.965250
where:
bonds (distance) C4'-P energy: -10.563
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -17.622
flat angles P-C4'-P energy: -5.618
tors. eta vs tors. theta energy: -15.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -202.938279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.938279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.938279 (E_RNA)
where:
Base-Base interactions energy: -126.161
where: short stacking energy: -67.384
Base-Backbone interact. energy: -0.489
local terms energy: -76.287960
where:
bonds (distance) C4'-P energy: -16.856
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -12.202
tors. eta vs tors. theta energy: -15.265
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: 18
Temperature: 1.000000
Total energy: -189.653685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.653685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.653685 (E_RNA)
where:
Base-Base interactions energy: -119.024
where: short stacking energy: -61.659
Base-Backbone interact. energy: -0.019
local terms energy: -70.609833
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -15.988
flat angles P-C4'-P energy: -8.559
tors. eta vs tors. theta energy: -15.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -111.106404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.106404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.106404 (E_RNA)
where:
Base-Base interactions energy: -49.285
where: short stacking energy: -49.285
Base-Backbone interact. energy: -0.132
local terms energy: -61.689590
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -16.514
flat angles C4'-P-C4' energy: -13.462
flat angles P-C4'-P energy: -10.608
tors. eta vs tors. theta energy: -9.301
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: 18
Temperature: 1.100000
Total energy: -109.357961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.357961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.357961 (E_RNA)
where:
Base-Base interactions energy: -50.268
where: short stacking energy: -35.313
Base-Backbone interact. energy: -0.098
local terms energy: -58.991600
where:
bonds (distance) C4'-P energy: -14.037
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -12.971
flat angles P-C4'-P energy: -9.824
tors. eta vs tors. theta energy: -5.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -101.440472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.440472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.440472 (E_RNA)
where:
Base-Base interactions energy: -45.100
where: short stacking energy: -45.100
Base-Backbone interact. energy: -0.138
local terms energy: -56.202166
where:
bonds (distance) C4'-P energy: -10.007
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -11.378
flat angles P-C4'-P energy: -8.865
tors. eta vs tors. theta energy: -10.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -94.387947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.387947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.387947 (E_RNA)
where:
Base-Base interactions energy: -39.086
where: short stacking energy: -35.982
Base-Backbone interact. energy: -0.210
local terms energy: -55.092009
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -12.087
flat angles C4'-P-C4' energy: -14.941
flat angles P-C4'-P energy: -7.700
tors. eta vs tors. theta energy: -4.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -92.313687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.313687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.313687 (E_RNA)
where:
Base-Base interactions energy: -42.998
where: short stacking energy: -42.957
Base-Backbone interact. energy: -0.545
local terms energy: -48.770879
where:
bonds (distance) C4'-P energy: -8.946
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -11.415
flat angles P-C4'-P energy: -4.118
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: 9, replica: 7
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -81.823719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.823719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.823719 (E_RNA)
where:
Base-Base interactions energy: -36.033
where: short stacking energy: -35.011
Base-Backbone interact. energy: -0.319
local terms energy: -45.471408
where:
bonds (distance) C4'-P energy: -15.807
bonds (distance) P-C4' energy: -12.116
flat angles C4'-P-C4' energy: -15.494
flat angles P-C4'-P energy: -4.614
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: 10, replica: 1
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -73.010392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.010392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.010392 (E_RNA)
where:
Base-Base interactions energy: -26.794
where: short stacking energy: -19.240
Base-Backbone interact. energy: -0.210
local terms energy: -46.006691
where:
bonds (distance) C4'-P energy: -13.960
bonds (distance) P-C4' energy: -10.542
flat angles C4'-P-C4' energy: -7.394
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: -3.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -182.421571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.421571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.421571 (E_RNA)
where:
Base-Base interactions energy: -103.114
where: short stacking energy: -62.171
Base-Backbone interact. energy: -2.182
local terms energy: -77.125718
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -15.986
flat angles C4'-P-C4' energy: -14.073
flat angles P-C4'-P energy: -12.949
tors. eta vs tors. theta energy: -19.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -193.964974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.964974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.964974 (E_RNA)
where:
Base-Base interactions energy: -119.067
where: short stacking energy: -71.774
Base-Backbone interact. energy: -0.011
local terms energy: -74.887132
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -10.978
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: 3, replica: 2
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -180.928216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.928216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.928216 (E_RNA)
where:
Base-Base interactions energy: -110.841
where: short stacking energy: -50.987
Base-Backbone interact. energy: -1.108
local terms energy: -68.979061
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -17.901
flat angles C4'-P-C4' energy: -13.998
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -12.827
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: 19
Temperature: 1.050000
Total energy: -112.283935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.283935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.283935 (E_RNA)
where:
Base-Base interactions energy: -52.407
where: short stacking energy: -43.870
Base-Backbone interact. energy: -0.136
local terms energy: -59.741196
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -14.346
flat angles P-C4'-P energy: -10.438
tors. eta vs tors. theta energy: -5.739
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: 10
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -109.771562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.771562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.771562 (E_RNA)
where:
Base-Base interactions energy: -52.504
where: short stacking energy: -34.412
Base-Backbone interact. energy: -0.143
local terms energy: -57.124556
where:
bonds (distance) C4'-P energy: -11.015
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -14.916
flat angles P-C4'-P energy: -7.309
tors. eta vs tors. theta energy: -7.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -94.124982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.124982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.124982 (E_RNA)
where:
Base-Base interactions energy: -37.199
where: short stacking energy: -36.432
Base-Backbone interact. energy: 0.494
local terms energy: -57.420222
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -12.533
tors. eta vs tors. theta energy: -0.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -99.054752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.054752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.054752 (E_RNA)
where:
Base-Base interactions energy: -42.962
where: short stacking energy: -39.729
Base-Backbone interact. energy: -0.060
local terms energy: -56.032287
where:
bonds (distance) C4'-P energy: -8.910
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -11.441
flat angles P-C4'-P energy: -10.485
tors. eta vs tors. theta energy: -9.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -86.280445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.280445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.280445 (E_RNA)
where:
Base-Base interactions energy: -40.635
where: short stacking energy: -37.342
Base-Backbone interact. energy: 0.230
local terms energy: -45.875950
where:
bonds (distance) C4'-P energy: -8.655
bonds (distance) P-C4' energy: -10.708
flat angles C4'-P-C4' energy: -13.017
flat angles P-C4'-P energy: -6.702
tors. eta vs tors. theta energy: -6.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -89.594766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.594766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.594766 (E_RNA)
where:
Base-Base interactions energy: -38.540
where: short stacking energy: -24.451
Base-Backbone interact. energy: -0.262
local terms energy: -50.792525
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -14.190
flat angles C4'-P-C4' energy: -12.018
flat angles P-C4'-P energy: -9.444
tors. eta vs tors. theta energy: -0.692
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: 19
Temperature: 1.350000
Total energy: -82.762588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.762588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.762588 (E_RNA)
where:
Base-Base interactions energy: -35.447
where: short stacking energy: -26.580
Base-Backbone interact. energy: -1.225
local terms energy: -46.090067
where:
bonds (distance) C4'-P energy: -6.254
bonds (distance) P-C4' energy: -17.613
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -3.656
tors. eta vs tors. theta energy: -2.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -198.656258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.656258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.656258 (E_RNA)
where:
Base-Base interactions energy: -122.957
where: short stacking energy: -68.356
Base-Backbone interact. energy: -1.478
local terms energy: -74.221466
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -16.836
flat angles P-C4'-P energy: -11.682
tors. eta vs tors. theta energy: -16.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -183.079780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.079780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.079780 (E_RNA)
where:
Base-Base interactions energy: -106.276
where: short stacking energy: -59.973
Base-Backbone interact. energy: -1.765
local terms energy: -75.038925
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -18.694
flat angles C4'-P-C4' energy: -14.050
flat angles P-C4'-P energy: -10.870
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: 3, replica: 2
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -181.617893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.617893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.617893 (E_RNA)
where:
Base-Base interactions energy: -126.317
where: short stacking energy: -52.879
Base-Backbone interact. energy: -0.392
local terms energy: -54.908700
where:
bonds (distance) C4'-P energy: -8.894
bonds (distance) P-C4' energy: -13.083
flat angles C4'-P-C4' energy: -10.965
flat angles P-C4'-P energy: -7.469
tors. eta vs tors. theta energy: -14.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -131.320819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.320819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.320819 (E_RNA)
where:
Base-Base interactions energy: -81.057
where: short stacking energy: -36.827
Base-Backbone interact. energy: 0.273
local terms energy: -50.537205
where:
bonds (distance) C4'-P energy: -11.987
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -12.600
flat angles P-C4'-P energy: -7.363
tors. eta vs tors. theta energy: -5.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -113.344988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.344988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.344988 (E_RNA)
where:
Base-Base interactions energy: -48.044
where: short stacking energy: -40.040
Base-Backbone interact. energy: -0.014
local terms energy: -65.287757
where:
bonds (distance) C4'-P energy: -15.243
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -16.775
flat angles P-C4'-P energy: -7.718
tors. eta vs tors. theta energy: -9.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -108.617088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.617088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.617088 (E_RNA)
where:
Base-Base interactions energy: -54.685
where: short stacking energy: -44.515
Base-Backbone interact. energy: -0.009
local terms energy: -53.923289
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -14.649
flat angles C4'-P-C4' energy: -14.013
flat angles P-C4'-P energy: -3.805
tors. eta vs tors. theta energy: -8.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -92.494871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.494871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.494871 (E_RNA)
where:
Base-Base interactions energy: -40.893
where: short stacking energy: -24.422
Base-Backbone interact. energy: -1.171
local terms energy: -50.430735
where:
bonds (distance) C4'-P energy: -15.591
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -9.996
flat angles P-C4'-P energy: -6.587
tors. eta vs tors. theta energy: -3.181
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: 4
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -88.130451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.130451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.130451 (E_RNA)
where:
Base-Base interactions energy: -38.096
where: short stacking energy: -23.966
Base-Backbone interact. energy: -0.895
local terms energy: -49.139122
where:
bonds (distance) C4'-P energy: -10.013
bonds (distance) P-C4' energy: -13.801
flat angles C4'-P-C4' energy: -13.477
flat angles P-C4'-P energy: -10.900
tors. eta vs tors. theta energy: -0.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -85.062897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.062897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.062897 (E_RNA)
where:
Base-Base interactions energy: -24.639
where: short stacking energy: -24.639
Base-Backbone interact. energy: -0.005
local terms energy: -60.419265
where:
bonds (distance) C4'-P energy: -14.416
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -12.475
flat angles P-C4'-P energy: -9.976
tors. eta vs tors. theta energy: -5.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -71.548157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.548157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.548157 (E_RNA)
where:
Base-Base interactions energy: -27.144
where: short stacking energy: -15.239
Base-Backbone interact. energy: 0.058
local terms energy: -44.461835
where:
bonds (distance) C4'-P energy: -12.020
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -11.008
flat angles P-C4'-P energy: -7.876
tors. eta vs tors. theta energy: 3.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -189.227610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.227610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.227610 (E_RNA)
where:
Base-Base interactions energy: -114.943
where: short stacking energy: -65.563
Base-Backbone interact. energy: -0.058
local terms energy: -74.225928
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -14.997
flat angles P-C4'-P energy: -9.863
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: 2, replica: 8
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -186.082517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.082517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.082517 (E_RNA)
where:
Base-Base interactions energy: -109.205
where: short stacking energy: -67.453
Base-Backbone interact. energy: -1.200
local terms energy: -75.677259
where:
bonds (distance) C4'-P energy: -11.528
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -15.371
flat angles P-C4'-P energy: -10.573
tors. eta vs tors. theta energy: -20.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -177.913150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.913150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.913150 (E_RNA)
where:
Base-Base interactions energy: -113.245
where: short stacking energy: -53.485
Base-Backbone interact. energy: 0.330
local terms energy: -64.997548
where:
bonds (distance) C4'-P energy: -11.662
bonds (distance) P-C4' energy: -15.127
flat angles C4'-P-C4' energy: -15.339
flat angles P-C4'-P energy: -11.934
tors. eta vs tors. theta energy: -10.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -126.346528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.346528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.346528 (E_RNA)
where:
Base-Base interactions energy: -62.392
where: short stacking energy: -44.272
Base-Backbone interact. energy: -0.058
local terms energy: -63.896447
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -17.888
flat angles P-C4'-P energy: -9.982
tors. eta vs tors. theta energy: -7.780
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: 9
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -107.804942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.804942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.804942 (E_RNA)
where:
Base-Base interactions energy: -54.459
where: short stacking energy: -45.115
Base-Backbone interact. energy: 1.114
local terms energy: -54.460472
where:
bonds (distance) C4'-P energy: -12.580
bonds (distance) P-C4' energy: -14.018
flat angles C4'-P-C4' energy: -14.997
flat angles P-C4'-P energy: -6.854
tors. eta vs tors. theta energy: -6.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -118.560697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.560697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.560697 (E_RNA)
where:
Base-Base interactions energy: -63.131
where: short stacking energy: -37.895
Base-Backbone interact. energy: 0.137
local terms energy: -55.566293
where:
bonds (distance) C4'-P energy: -12.414
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -16.002
flat angles P-C4'-P energy: -5.814
tors. eta vs tors. theta energy: -5.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -101.593701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.593701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.593701 (E_RNA)
where:
Base-Base interactions energy: -49.955
where: short stacking energy: -38.123
Base-Backbone interact. energy: -0.021
local terms energy: -51.617120
where:
bonds (distance) C4'-P energy: -12.290
bonds (distance) P-C4' energy: -8.632
flat angles C4'-P-C4' energy: -14.170
flat angles P-C4'-P energy: -7.520
tors. eta vs tors. theta energy: -9.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -96.590320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.590320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.590320 (E_RNA)
where:
Base-Base interactions energy: -55.038
where: short stacking energy: -37.467
Base-Backbone interact. energy: -0.380
local terms energy: -41.172316
where:
bonds (distance) C4'-P energy: -13.159
bonds (distance) P-C4' energy: -13.029
flat angles C4'-P-C4' energy: -11.140
flat angles P-C4'-P energy: -0.072
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: 21
Temperature: 1.300000
Total energy: -86.650353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.650353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.650353 (E_RNA)
where:
Base-Base interactions energy: -34.423
where: short stacking energy: -26.147
Base-Backbone interact. energy: -0.174
local terms energy: -52.053067
where:
bonds (distance) C4'-P energy: -11.958
bonds (distance) P-C4' energy: -17.716
flat angles C4'-P-C4' energy: -11.505
flat angles P-C4'-P energy: -4.219
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: 10, replica: 3
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -73.061142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.061142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.061142 (E_RNA)
where:
Base-Base interactions energy: -29.296
where: short stacking energy: -25.843
Base-Backbone interact. energy: -0.053
local terms energy: -43.713005
where:
bonds (distance) C4'-P energy: -6.521
bonds (distance) P-C4' energy: -12.387
flat angles C4'-P-C4' energy: -14.227
flat angles P-C4'-P energy: -8.589
tors. eta vs tors. theta energy: -1.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -186.014172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.014172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.014172 (E_RNA)
where:
Base-Base interactions energy: -110.327
where: short stacking energy: -73.448
Base-Backbone interact. energy: -0.090
local terms energy: -75.597686
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -9.917
tors. eta vs tors. theta energy: -20.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -184.790220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.790220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.790220 (E_RNA)
where:
Base-Base interactions energy: -113.427
where: short stacking energy: -64.281
Base-Backbone interact. energy: -0.003
local terms energy: -71.359914
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -16.963
flat angles C4'-P-C4' energy: -13.701
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -16.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -189.186291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.186291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.186291 (E_RNA)
where:
Base-Base interactions energy: -126.247
where: short stacking energy: -60.881
Base-Backbone interact. energy: 0.682
local terms energy: -63.621051
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -11.224
flat angles P-C4'-P energy: -12.197
tors. eta vs tors. theta energy: -12.211
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: 4, replica: 6
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -114.172918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.172918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.172918 (E_RNA)
where:
Base-Base interactions energy: -61.208
where: short stacking energy: -26.795
Base-Backbone interact. energy: -0.507
local terms energy: -52.458390
where:
bonds (distance) C4'-P energy: -16.420
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -10.999
flat angles P-C4'-P energy: -8.541
tors. eta vs tors. theta energy: -3.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -121.612859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.612859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.612859 (E_RNA)
where:
Base-Base interactions energy: -67.924
where: short stacking energy: -42.406
Base-Backbone interact. energy: -1.550
local terms energy: -52.138804
where:
bonds (distance) C4'-P energy: -11.031
bonds (distance) P-C4' energy: -11.795
flat angles C4'-P-C4' energy: -14.007
flat angles P-C4'-P energy: -5.516
tors. eta vs tors. theta energy: -9.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -133.377834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.377834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.377834 (E_RNA)
where:
Base-Base interactions energy: -74.113
where: short stacking energy: -41.476
Base-Backbone interact. energy: -0.101
local terms energy: -59.164217
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -11.884
flat angles C4'-P-C4' energy: -14.158
flat angles P-C4'-P energy: -10.205
tors. eta vs tors. theta energy: -6.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -98.530088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.530088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.530088 (E_RNA)
where:
Base-Base interactions energy: -52.602
where: short stacking energy: -46.107
Base-Backbone interact. energy: -0.119
local terms energy: -45.809068
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -10.711
flat angles C4'-P-C4' energy: -13.631
flat angles P-C4'-P energy: -0.160
tors. eta vs tors. theta energy: -6.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -87.647901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.647901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.647901 (E_RNA)
where:
Base-Base interactions energy: -34.012
where: short stacking energy: -34.012
Base-Backbone interact. energy: -0.007
local terms energy: -53.628642
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -9.084
flat angles C4'-P-C4' energy: -12.068
flat angles P-C4'-P energy: -10.218
tors. eta vs tors. theta energy: -9.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -82.599475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.599475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.599475 (E_RNA)
where:
Base-Base interactions energy: -36.831
where: short stacking energy: -24.181
Base-Backbone interact. energy: 0.067
local terms energy: -45.835107
where:
bonds (distance) C4'-P energy: -11.151
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -12.661
flat angles P-C4'-P energy: -7.695
tors. eta vs tors. theta energy: 2.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -77.885503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.885503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.885503 (E_RNA)
where:
Base-Base interactions energy: -40.226
where: short stacking energy: -29.371
Base-Backbone interact. energy: -0.271
local terms energy: -37.388413
where:
bonds (distance) C4'-P energy: -10.137
bonds (distance) P-C4' energy: -6.206
flat angles C4'-P-C4' energy: -9.517
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -1.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -186.262275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.262275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.262275 (E_RNA)
where:
Base-Base interactions energy: -108.637
where: short stacking energy: -64.524
Base-Backbone interact. energy: -0.577
local terms energy: -77.048248
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -17.741
flat angles C4'-P-C4' energy: -15.608
flat angles P-C4'-P energy: -10.715
tors. eta vs tors. theta energy: -19.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -183.773217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.773217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.773217 (E_RNA)
where:
Base-Base interactions energy: -118.329
where: short stacking energy: -53.514
Base-Backbone interact. energy: -0.182
local terms energy: -65.262341
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -13.438
flat angles C4'-P-C4' energy: -14.403
flat angles P-C4'-P energy: -8.007
tors. eta vs tors. theta energy: -13.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -180.268047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.268047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.268047 (E_RNA)
where:
Base-Base interactions energy: -116.589
where: short stacking energy: -62.753
Base-Backbone interact. energy: -0.070
local terms energy: -63.609766
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -12.911
flat angles P-C4'-P energy: -6.867
tors. eta vs tors. theta energy: -14.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -116.302415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.302415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.302415 (E_RNA)
where:
Base-Base interactions energy: -63.932
where: short stacking energy: -34.867
Base-Backbone interact. energy: 0.285
local terms energy: -52.655978
where:
bonds (distance) C4'-P energy: -11.703
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -11.833
flat angles P-C4'-P energy: -7.531
tors. eta vs tors. theta energy: -5.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -113.722649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.722649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.722649 (E_RNA)
where:
Base-Base interactions energy: -49.394
where: short stacking energy: -38.434
Base-Backbone interact. energy: -0.293
local terms energy: -64.035514
where:
bonds (distance) C4'-P energy: -10.653
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -16.978
flat angles P-C4'-P energy: -9.706
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: 6, replica: 9
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -155.408296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.408296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.408296 (E_RNA)
where:
Base-Base interactions energy: -100.365
where: short stacking energy: -55.910
Base-Backbone interact. energy: -0.843
local terms energy: -54.200419
where:
bonds (distance) C4'-P energy: -7.859
bonds (distance) P-C4' energy: -10.360
flat angles C4'-P-C4' energy: -16.320
flat angles P-C4'-P energy: -6.108
tors. eta vs tors. theta energy: -13.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -98.985413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.985413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.985413 (E_RNA)
where:
Base-Base interactions energy: -43.694
where: short stacking energy: -43.694
Base-Backbone interact. energy: -0.100
local terms energy: -55.191035
where:
bonds (distance) C4'-P energy: -12.415
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -10.196
flat angles P-C4'-P energy: -10.162
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: 8, replica: 3
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -84.684256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.684256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.684256 (E_RNA)
where:
Base-Base interactions energy: -38.423
where: short stacking energy: -35.877
Base-Backbone interact. energy: -0.197
local terms energy: -46.064556
where:
bonds (distance) C4'-P energy: -8.008
bonds (distance) P-C4' energy: -13.536
flat angles C4'-P-C4' energy: -13.435
flat angles P-C4'-P energy: -9.193
tors. eta vs tors. theta energy: -1.892
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: 9, replica: 10
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -79.935728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.935728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.935728 (E_RNA)
where:
Base-Base interactions energy: -26.616
where: short stacking energy: -26.616
Base-Backbone interact. energy: -0.120
local terms energy: -53.199251
where:
bonds (distance) C4'-P energy: -15.400
bonds (distance) P-C4' energy: -15.231
flat angles C4'-P-C4' energy: -12.249
flat angles P-C4'-P energy: -6.110
tors. eta vs tors. theta energy: -4.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -83.078253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.078253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.078253 (E_RNA)
where:
Base-Base interactions energy: -35.470
where: short stacking energy: -26.475
Base-Backbone interact. energy: -0.233
local terms energy: -47.375764
where:
bonds (distance) C4'-P energy: -9.408
bonds (distance) P-C4' energy: -11.634
flat angles C4'-P-C4' energy: -13.225
flat angles P-C4'-P energy: -7.543
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: 1, replica: 2
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -189.531208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.531208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.531208 (E_RNA)
where:
Base-Base interactions energy: -120.468
where: short stacking energy: -60.455
Base-Backbone interact. energy: -0.058
local terms energy: -69.005793
where:
bonds (distance) C4'-P energy: -15.709
bonds (distance) P-C4' energy: -14.806
flat angles C4'-P-C4' energy: -13.658
flat angles P-C4'-P energy: -10.746
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: 2, replica: 8
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -187.676139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.676139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.676139 (E_RNA)
where:
Base-Base interactions energy: -118.272
where: short stacking energy: -74.207
Base-Backbone interact. energy: -1.427
local terms energy: -67.976968
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -13.047
flat angles P-C4'-P energy: -5.740
tors. eta vs tors. theta energy: -20.708
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: 5
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -182.017614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.017614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.017614 (E_RNA)
where:
Base-Base interactions energy: -111.109
where: short stacking energy: -63.451
Base-Backbone interact. energy: -0.162
local terms energy: -70.746056
where:
bonds (distance) C4'-P energy: -10.670
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -17.100
flat angles P-C4'-P energy: -9.278
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: 4, replica: 7
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -110.918074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.918074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.918074 (E_RNA)
where:
Base-Base interactions energy: -48.853
where: short stacking energy: -48.853
Base-Backbone interact. energy: -0.031
local terms energy: -62.033688
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -14.342
flat angles P-C4'-P energy: -11.626
tors. eta vs tors. theta energy: -5.853
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: 9
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -152.427183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.427183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.427183 (E_RNA)
where:
Base-Base interactions energy: -83.753
where: short stacking energy: -35.526
Base-Backbone interact. energy: -0.453
local terms energy: -68.221965
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -15.002
flat angles C4'-P-C4' energy: -13.211
flat angles P-C4'-P energy: -11.485
tors. eta vs tors. theta energy: -13.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -110.100442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.100442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.100442 (E_RNA)
where:
Base-Base interactions energy: -46.735
where: short stacking energy: -42.157
Base-Backbone interact. energy: -0.016
local terms energy: -63.349360
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -13.982
flat angles C4'-P-C4' energy: -11.987
flat angles P-C4'-P energy: -7.918
tors. eta vs tors. theta energy: -12.677
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: 7, replica: 3
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -88.241519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.241519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.241519 (E_RNA)
where:
Base-Base interactions energy: -29.550
where: short stacking energy: -28.681
Base-Backbone interact. energy: 0.494
local terms energy: -59.185551
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -14.221
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -9.688
tors. eta vs tors. theta energy: -6.820
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: 4
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -106.087951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.087951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.087951 (E_RNA)
where:
Base-Base interactions energy: -50.766
where: short stacking energy: -48.528
Base-Backbone interact. energy: -0.022
local terms energy: -55.300493
where:
bonds (distance) C4'-P energy: -12.795
bonds (distance) P-C4' energy: -11.524
flat angles C4'-P-C4' energy: -10.801
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: -9.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -83.447321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.447321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.447321 (E_RNA)
where:
Base-Base interactions energy: -30.932
where: short stacking energy: -16.827
Base-Backbone interact. energy: -0.373
local terms energy: -52.141961
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -15.027
flat angles C4'-P-C4' energy: -15.077
flat angles P-C4'-P energy: -7.305
tors. eta vs tors. theta energy: -0.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -82.629045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.629045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.629045 (E_RNA)
where:
Base-Base interactions energy: -33.242
where: short stacking energy: -18.766
Base-Backbone interact. energy: -0.162
local terms energy: -49.224523
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -16.335
flat angles C4'-P-C4' energy: -13.942
flat angles P-C4'-P energy: -1.418
tors. eta vs tors. theta energy: -1.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -192.624836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.624836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.624836 (E_RNA)
where:
Base-Base interactions energy: -117.328
where: short stacking energy: -62.400
Base-Backbone interact. energy: 0.315
local terms energy: -75.611311
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -15.593
flat angles P-C4'-P energy: -12.611
tors. eta vs tors. theta energy: -15.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -189.087934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.087934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.087934 (E_RNA)
where:
Base-Base interactions energy: -116.698
where: short stacking energy: -62.591
Base-Backbone interact. energy: -0.901
local terms energy: -71.488623
where:
bonds (distance) C4'-P energy: -13.255
bonds (distance) P-C4' energy: -13.756
flat angles C4'-P-C4' energy: -15.863
flat angles P-C4'-P energy: -10.994
tors. eta vs tors. theta energy: -17.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -175.322630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.322630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.322630 (E_RNA)
where:
Base-Base interactions energy: -99.754
where: short stacking energy: -58.851
Base-Backbone interact. energy: -0.156
local terms energy: -75.412383
where:
bonds (distance) C4'-P energy: -13.193
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -16.033
flat angles P-C4'-P energy: -13.662
tors. eta vs tors. theta energy: -16.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -176.534861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.534861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.534861 (E_RNA)
where:
Base-Base interactions energy: -104.273
where: short stacking energy: -59.538
Base-Backbone interact. energy: -0.093
local terms energy: -72.168915
where:
bonds (distance) C4'-P energy: -8.929
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -15.091
flat angles P-C4'-P energy: -12.593
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: 5, replica: 7
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -103.856921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.856921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.856921 (E_RNA)
where:
Base-Base interactions energy: -46.051
where: short stacking energy: -43.587
Base-Backbone interact. energy: -0.093
local terms energy: -57.713465
where:
bonds (distance) C4'-P energy: -11.033
bonds (distance) P-C4' energy: -11.608
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -12.422
tors. eta vs tors. theta energy: -7.546
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: 25
Temperature: 1.150000
Total energy: -107.447380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.447380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.447380 (E_RNA)
where:
Base-Base interactions energy: -51.852
where: short stacking energy: -43.307
Base-Backbone interact. energy: -0.050
local terms energy: -55.545566
where:
bonds (distance) C4'-P energy: -14.282
bonds (distance) P-C4' energy: -8.249
flat angles C4'-P-C4' energy: -17.006
flat angles P-C4'-P energy: -7.795
tors. eta vs tors. theta energy: -8.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -98.271484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.271484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.271484 (E_RNA)
where:
Base-Base interactions energy: -38.991
where: short stacking energy: -37.222
Base-Backbone interact. energy: -0.065
local terms energy: -59.216156
where:
bonds (distance) C4'-P energy: -10.177
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -12.173
flat angles P-C4'-P energy: -11.744
tors. eta vs tors. theta energy: -9.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -89.542645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.542645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.542645 (E_RNA)
where:
Base-Base interactions energy: -36.949
where: short stacking energy: -36.792
Base-Backbone interact. energy: -0.067
local terms energy: -52.527203
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -6.224
flat angles C4'-P-C4' energy: -11.150
flat angles P-C4'-P energy: -12.327
tors. eta vs tors. theta energy: -5.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -84.120768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.120768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.120768 (E_RNA)
where:
Base-Base interactions energy: -43.084
where: short stacking energy: -26.959
Base-Backbone interact. energy: -0.128
local terms energy: -40.908904
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -3.673
flat angles C4'-P-C4' energy: -11.324
flat angles P-C4'-P energy: -9.128
tors. eta vs tors. theta energy: -1.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -75.379304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.379304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.379304 (E_RNA)
where:
Base-Base interactions energy: -30.335
where: short stacking energy: -25.242
Base-Backbone interact. energy: -0.269
local terms energy: -44.776015
where:
bonds (distance) C4'-P energy: -8.732
bonds (distance) P-C4' energy: -18.687
flat angles C4'-P-C4' energy: -12.061
flat angles P-C4'-P energy: -6.025
tors. eta vs tors. theta energy: 0.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -190.980861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.980861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.980861 (E_RNA)
where:
Base-Base interactions energy: -113.166
where: short stacking energy: -59.647
Base-Backbone interact. energy: -0.059
local terms energy: -77.756019
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -18.898
flat angles C4'-P-C4' energy: -15.954
flat angles P-C4'-P energy: -14.311
tors. eta vs tors. theta energy: -14.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -190.420686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.420686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.420686 (E_RNA)
where:
Base-Base interactions energy: -122.992
where: short stacking energy: -50.745
Base-Backbone interact. energy: -0.167
local terms energy: -67.262167
where:
bonds (distance) C4'-P energy: -16.868
bonds (distance) P-C4' energy: -12.235
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -12.919
tors. eta vs tors. theta energy: -10.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -180.715612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.715612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.715612 (E_RNA)
where:
Base-Base interactions energy: -109.801
where: short stacking energy: -59.072
Base-Backbone interact. energy: -0.041
local terms energy: -70.873548
where:
bonds (distance) C4'-P energy: -15.058
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -13.488
flat angles P-C4'-P energy: -8.999
tors. eta vs tors. theta energy: -17.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -166.275942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.275942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.275942 (E_RNA)
where:
Base-Base interactions energy: -95.333
where: short stacking energy: -51.994
Base-Backbone interact. energy: -0.021
local terms energy: -70.921861
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -15.597
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -15.422
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: 7
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -108.464846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.464846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.464846 (E_RNA)
where:
Base-Base interactions energy: -50.417
where: short stacking energy: -32.020
Base-Backbone interact. energy: 2.112
local terms energy: -60.159919
where:
bonds (distance) C4'-P energy: -11.310
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -17.403
flat angles P-C4'-P energy: -5.857
tors. eta vs tors. theta energy: -8.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -98.886844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.886844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.886844 (E_RNA)
where:
Base-Base interactions energy: -49.018
where: short stacking energy: -30.775
Base-Backbone interact. energy: -0.267
local terms energy: -49.602442
where:
bonds (distance) C4'-P energy: -6.526
bonds (distance) P-C4' energy: -14.464
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -7.288
tors. eta vs tors. theta energy: -4.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -87.691301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.691301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.691301 (E_RNA)
where:
Base-Base interactions energy: -30.766
where: short stacking energy: -27.530
Base-Backbone interact. energy: -0.450
local terms energy: -56.474933
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -14.119
flat angles C4'-P-C4' energy: -13.142
flat angles P-C4'-P energy: -8.701
tors. eta vs tors. theta energy: -4.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -88.164050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.164050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.164050 (E_RNA)
where:
Base-Base interactions energy: -33.868
where: short stacking energy: -33.868
Base-Backbone interact. energy: -0.014
local terms energy: -54.282419
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -13.453
flat angles C4'-P-C4' energy: -11.419
flat angles P-C4'-P energy: -9.239
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: 9, replica: 4
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -77.224654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.224654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.224654 (E_RNA)
where:
Base-Base interactions energy: -23.296
where: short stacking energy: -19.034
Base-Backbone interact. energy: 0.435
local terms energy: -54.363778
where:
bonds (distance) C4'-P energy: -15.530
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -13.872
flat angles P-C4'-P energy: -8.529
tors. eta vs tors. theta energy: -1.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -82.303070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.303070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.303070 (E_RNA)
where:
Base-Base interactions energy: -30.317
where: short stacking energy: -27.302
Base-Backbone interact. energy: 0.352
local terms energy: -52.338151
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -10.803
flat angles P-C4'-P energy: -5.603
tors. eta vs tors. theta energy: -5.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -188.743211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.743211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.743211 (E_RNA)
where:
Base-Base interactions energy: -118.550
where: short stacking energy: -67.049
Base-Backbone interact. energy: -1.834
local terms energy: -68.359406
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -6.724
flat angles P-C4'-P energy: -13.416
tors. eta vs tors. theta energy: -16.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -190.975217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.975217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.975217 (E_RNA)
where:
Base-Base interactions energy: -111.902
where: short stacking energy: -61.561
Base-Backbone interact. energy: -0.052
local terms energy: -79.021008
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -16.434
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -10.857
tors. eta vs tors. theta energy: -21.188
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: 3, replica: 2
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -190.591829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.591829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.591829 (E_RNA)
where:
Base-Base interactions energy: -126.826
where: short stacking energy: -57.457
Base-Backbone interact. energy: -0.179
local terms energy: -63.587472
where:
bonds (distance) C4'-P energy: -14.661
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -14.250
flat angles P-C4'-P energy: -9.305
tors. eta vs tors. theta energy: -10.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -162.412169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.412169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.412169 (E_RNA)
where:
Base-Base interactions energy: -90.068
where: short stacking energy: -45.659
Base-Backbone interact. energy: -0.117
local terms energy: -72.226970
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -17.141
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -11.892
tors. eta vs tors. theta energy: -13.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -115.396396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.396396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.396396 (E_RNA)
where:
Base-Base interactions energy: -51.473
where: short stacking energy: -42.882
Base-Backbone interact. energy: -0.007
local terms energy: -63.916634
where:
bonds (distance) C4'-P energy: -14.217
bonds (distance) P-C4' energy: -11.889
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -13.032
tors. eta vs tors. theta energy: -10.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -135.254927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.254927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.254927 (E_RNA)
where:
Base-Base interactions energy: -83.913
where: short stacking energy: -46.051
Base-Backbone interact. energy: -0.104
local terms energy: -51.237773
where:
bonds (distance) C4'-P energy: -11.283
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -12.865
flat angles P-C4'-P energy: -1.812
tors. eta vs tors. theta energy: -11.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -90.713853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.713853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.713853 (E_RNA)
where:
Base-Base interactions energy: -35.672
where: short stacking energy: -28.105
Base-Backbone interact. energy: -0.241
local terms energy: -54.800377
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -10.703
flat angles P-C4'-P energy: -10.259
tors. eta vs tors. theta energy: -3.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -92.340637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.340637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.340637 (E_RNA)
where:
Base-Base interactions energy: -40.870
where: short stacking energy: -40.187
Base-Backbone interact. energy: 0.164
local terms energy: -51.634314
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -14.682
flat angles P-C4'-P energy: -3.462
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: 9, replica: 3
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -77.982097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.982097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.982097 (E_RNA)
where:
Base-Base interactions energy: -36.113
where: short stacking energy: -21.938
Base-Backbone interact. energy: -0.137
local terms energy: -41.732339
where:
bonds (distance) C4'-P energy: -10.642
bonds (distance) P-C4' energy: -13.360
flat angles C4'-P-C4' energy: -10.086
flat angles P-C4'-P energy: -7.648
tors. eta vs tors. theta energy: 0.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -80.662514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.662514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.662514 (E_RNA)
where:
Base-Base interactions energy: -29.555
where: short stacking energy: -29.555
Base-Backbone interact. energy: -0.010
local terms energy: -51.097510
where:
bonds (distance) C4'-P energy: -8.712
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -15.413
flat angles P-C4'-P energy: -7.355
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: 9
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -201.324679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.324679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.324679 (E_RNA)
where:
Base-Base interactions energy: -119.067
where: short stacking energy: -61.861
Base-Backbone interact. energy: -1.572
local terms energy: -80.685672
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -16.378
flat angles C4'-P-C4' energy: -17.438
flat angles P-C4'-P energy: -9.545
tors. eta vs tors. theta energy: -22.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -188.606939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.606939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.606939 (E_RNA)
where:
Base-Base interactions energy: -117.108
where: short stacking energy: -64.740
Base-Backbone interact. energy: 0.090
local terms energy: -71.588741
where:
bonds (distance) C4'-P energy: -16.466
bonds (distance) P-C4' energy: -13.395
flat angles C4'-P-C4' energy: -14.635
flat angles P-C4'-P energy: -8.141
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: 3, replica: 2
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -194.739384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.739384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.739384 (E_RNA)
where:
Base-Base interactions energy: -130.076
where: short stacking energy: -52.842
Base-Backbone interact. energy: -0.003
local terms energy: -64.660675
where:
bonds (distance) C4'-P energy: -11.128
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -11.153
flat angles P-C4'-P energy: -10.604
tors. eta vs tors. theta energy: -14.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -156.135277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.135277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.135277 (E_RNA)
where:
Base-Base interactions energy: -96.479
where: short stacking energy: -62.312
Base-Backbone interact. energy: -0.702
local terms energy: -58.953651
where:
bonds (distance) C4'-P energy: -6.569
bonds (distance) P-C4' energy: -13.118
flat angles C4'-P-C4' energy: -16.389
flat angles P-C4'-P energy: -11.923
tors. eta vs tors. theta energy: -10.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -140.608135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.608135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.608135 (E_RNA)
where:
Base-Base interactions energy: -79.075
where: short stacking energy: -41.975
Base-Backbone interact. energy: -1.603
local terms energy: -59.929803
where:
bonds (distance) C4'-P energy: -14.515
bonds (distance) P-C4' energy: -17.070
flat angles C4'-P-C4' energy: -11.761
flat angles P-C4'-P energy: -8.820
tors. eta vs tors. theta energy: -7.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -139.247235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.247235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.247235 (E_RNA)
where:
Base-Base interactions energy: -87.106
where: short stacking energy: -48.656
Base-Backbone interact. energy: -0.142
local terms energy: -51.999052
where:
bonds (distance) C4'-P energy: -12.015
bonds (distance) P-C4' energy: -13.429
flat angles C4'-P-C4' energy: -13.390
flat angles P-C4'-P energy: -6.596
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: 4
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -95.369361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.369361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.369361 (E_RNA)
where:
Base-Base interactions energy: -39.856
where: short stacking energy: -39.620
Base-Backbone interact. energy: -0.184
local terms energy: -55.329577
where:
bonds (distance) C4'-P energy: -12.152
bonds (distance) P-C4' energy: -13.699
flat angles C4'-P-C4' energy: -15.850
flat angles P-C4'-P energy: -7.031
tors. eta vs tors. theta energy: -6.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -100.857596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.857596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.857596 (E_RNA)
where:
Base-Base interactions energy: -50.740
where: short stacking energy: -36.234
Base-Backbone interact. energy: -0.706
local terms energy: -49.411949
where:
bonds (distance) C4'-P energy: -16.135
bonds (distance) P-C4' energy: -6.771
flat angles C4'-P-C4' energy: -13.356
flat angles P-C4'-P energy: -7.400
tors. eta vs tors. theta energy: -5.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -79.496457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.496457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.496457 (E_RNA)
where:
Base-Base interactions energy: -31.800
where: short stacking energy: -31.800
Base-Backbone interact. energy: -0.177
local terms energy: -47.519695
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -14.682
flat angles C4'-P-C4' energy: -3.886
flat angles P-C4'-P energy: -9.918
tors. eta vs tors. theta energy: -4.914
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: 10, replica: 3
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -78.065942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.065942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.065942 (E_RNA)
where:
Base-Base interactions energy: -25.599
where: short stacking energy: -25.056
Base-Backbone interact. energy: -0.210
local terms energy: -52.256602
where:
bonds (distance) C4'-P energy: -13.257
bonds (distance) P-C4' energy: -13.640
flat angles C4'-P-C4' energy: -12.349
flat angles P-C4'-P energy: -8.168
tors. eta vs tors. theta energy: -4.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -203.190131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.190131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.190131 (E_RNA)
where:
Base-Base interactions energy: -129.091
where: short stacking energy: -70.725
Base-Backbone interact. energy: -0.001
local terms energy: -74.098190
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -12.293
flat angles P-C4'-P energy: -8.691
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: 2, replica: 5
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -196.951018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.951018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.951018 (E_RNA)
where:
Base-Base interactions energy: -118.298
where: short stacking energy: -69.301
Base-Backbone interact. energy: -0.390
local terms energy: -78.262821
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -17.529
flat angles P-C4'-P energy: -8.991
tors. eta vs tors. theta energy: -20.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -189.635297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.635297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.635297 (E_RNA)
where:
Base-Base interactions energy: -120.471
where: short stacking energy: -52.047
Base-Backbone interact. energy: -0.080
local terms energy: -69.083618
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -12.627
flat angles P-C4'-P energy: -9.716
tors. eta vs tors. theta energy: -14.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -161.666094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.666094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.666094 (E_RNA)
where:
Base-Base interactions energy: -83.104
where: short stacking energy: -56.698
Base-Backbone interact. energy: -0.589
local terms energy: -77.972806
where:
bonds (distance) C4'-P energy: -17.717
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -16.056
flat angles P-C4'-P energy: -11.477
tors. eta vs tors. theta energy: -15.449
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: 6
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -150.929225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.929225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.929225 (E_RNA)
where:
Base-Base interactions energy: -83.975
where: short stacking energy: -45.118
Base-Backbone interact. energy: -1.409
local terms energy: -65.545219
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -13.471
flat angles C4'-P-C4' energy: -15.843
flat angles P-C4'-P energy: -11.426
tors. eta vs tors. theta energy: -11.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -116.560575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.560575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.560575 (E_RNA)
where:
Base-Base interactions energy: -58.613
where: short stacking energy: -40.613
Base-Backbone interact. energy: -0.013
local terms energy: -57.934706
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -15.974
flat angles P-C4'-P energy: -4.503
tors. eta vs tors. theta energy: -9.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -104.741607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.741607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.741607 (E_RNA)
where:
Base-Base interactions energy: -42.376
where: short stacking energy: -42.376
Base-Backbone interact. energy: -0.007
local terms energy: -62.358739
where:
bonds (distance) C4'-P energy: -12.636
bonds (distance) P-C4' energy: -17.216
flat angles C4'-P-C4' energy: -13.964
flat angles P-C4'-P energy: -7.405
tors. eta vs tors. theta energy: -11.136
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: 10
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -80.506892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.506892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.506892 (E_RNA)
where:
Base-Base interactions energy: -28.331
where: short stacking energy: -27.397
Base-Backbone interact. energy: -0.118
local terms energy: -52.057519
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -16.255
flat angles C4'-P-C4' energy: -11.645
flat angles P-C4'-P energy: -8.163
tors. eta vs tors. theta energy: -1.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -93.908784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.908784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.908784 (E_RNA)
where:
Base-Base interactions energy: -47.376
where: short stacking energy: -23.878
Base-Backbone interact. energy: -0.202
local terms energy: -46.331123
where:
bonds (distance) C4'-P energy: -14.167
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -12.538
flat angles P-C4'-P energy: -4.654
tors. eta vs tors. theta energy: 1.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -83.994243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.994243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.994243 (E_RNA)
where:
Base-Base interactions energy: -26.596
where: short stacking energy: -26.596
Base-Backbone interact. energy: -0.046
local terms energy: -57.352203
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -16.806
flat angles C4'-P-C4' energy: -11.660
flat angles P-C4'-P energy: -5.869
tors. eta vs tors. theta energy: -8.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -191.941183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.941183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.941183 (E_RNA)
where:
Base-Base interactions energy: -124.353
where: short stacking energy: -67.245
Base-Backbone interact. energy: -0.018
local terms energy: -67.570189
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -11.141
flat angles C4'-P-C4' energy: -13.866
flat angles P-C4'-P energy: -6.948
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: 2, replica: 5
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -194.363407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.363407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.363407 (E_RNA)
where:
Base-Base interactions energy: -121.077
where: short stacking energy: -65.625
Base-Backbone interact. energy: -0.292
local terms energy: -72.993762
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -16.069
flat angles C4'-P-C4' energy: -11.305
flat angles P-C4'-P energy: -9.036
tors. eta vs tors. theta energy: -20.707
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: 2
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -182.036678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.036678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.036678 (E_RNA)
where:
Base-Base interactions energy: -113.697
where: short stacking energy: -50.902
Base-Backbone interact. energy: -0.022
local terms energy: -68.318076
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -13.292
tors. eta vs tors. theta energy: -10.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -164.299537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.299537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.299537 (E_RNA)
where:
Base-Base interactions energy: -92.991
where: short stacking energy: -54.722
Base-Backbone interact. energy: -0.067
local terms energy: -71.241300
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -15.351
flat angles C4'-P-C4' energy: -15.321
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: -15.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -139.506729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.506729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.506729 (E_RNA)
where:
Base-Base interactions energy: -69.586
where: short stacking energy: -50.212
Base-Backbone interact. energy: -0.052
local terms energy: -69.868524
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -14.349
flat angles P-C4'-P energy: -12.296
tors. eta vs tors. theta energy: -14.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -136.874678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.874678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.874678 (E_RNA)
where:
Base-Base interactions energy: -77.566
where: short stacking energy: -41.734
Base-Backbone interact. energy: -0.395
local terms energy: -58.913738
where:
bonds (distance) C4'-P energy: -16.412
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -12.777
flat angles P-C4'-P energy: -2.675
tors. eta vs tors. theta energy: -10.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -86.451888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.451888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.451888 (E_RNA)
where:
Base-Base interactions energy: -31.039
where: short stacking energy: -27.628
Base-Backbone interact. energy: -0.141
local terms energy: -55.272236
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -16.263
flat angles C4'-P-C4' energy: -9.258
flat angles P-C4'-P energy: -10.995
tors. eta vs tors. theta energy: -4.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -87.594831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.594831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.594831 (E_RNA)
where:
Base-Base interactions energy: -37.154
where: short stacking energy: -37.154
Base-Backbone interact. energy: -0.074
local terms energy: -50.366149
where:
bonds (distance) C4'-P energy: -12.941
bonds (distance) P-C4' energy: -12.109
flat angles C4'-P-C4' energy: -12.547
flat angles P-C4'-P energy: -9.349
tors. eta vs tors. theta energy: -3.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -86.743402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.743402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.743402 (E_RNA)
where:
Base-Base interactions energy: -31.208
where: short stacking energy: -23.373
Base-Backbone interact. energy: -0.143
local terms energy: -55.392222
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -12.850
flat angles C4'-P-C4' energy: -12.743
flat angles P-C4'-P energy: -11.184
tors. eta vs tors. theta energy: -3.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -81.661172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.661172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.661172 (E_RNA)
where:
Base-Base interactions energy: -33.143
where: short stacking energy: -26.163
Base-Backbone interact. energy: -0.273
local terms energy: -48.244985
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -12.178
flat angles C4'-P-C4' energy: -8.372
flat angles P-C4'-P energy: -7.987
tors. eta vs tors. theta energy: -5.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -192.260264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.260264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.260264 (E_RNA)
where:
Base-Base interactions energy: -116.087
where: short stacking energy: -65.979
Base-Backbone interact. energy: -0.420
local terms energy: -75.753468
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -11.890
tors. eta vs tors. theta energy: -18.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -179.783468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.783468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.783468 (E_RNA)
where:
Base-Base interactions energy: -112.823
where: short stacking energy: -53.408
Base-Backbone interact. energy: -1.063
local terms energy: -65.897692
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -8.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -196.100150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.100150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.100150 (E_RNA)
where:
Base-Base interactions energy: -123.919
where: short stacking energy: -69.746
Base-Backbone interact. energy: -0.007
local terms energy: -72.173825
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -8.556
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -12.803
tors. eta vs tors. theta energy: -21.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -160.167345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.167345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.167345 (E_RNA)
where:
Base-Base interactions energy: -90.754
where: short stacking energy: -49.072
Base-Backbone interact. energy: 0.163
local terms energy: -69.576266
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -16.041
flat angles C4'-P-C4' energy: -12.282
flat angles P-C4'-P energy: -11.186
tors. eta vs tors. theta energy: -15.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -155.479946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.479946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.479946 (E_RNA)
where:
Base-Base interactions energy: -94.604
where: short stacking energy: -42.657
Base-Backbone interact. energy: -0.269
local terms energy: -60.607303
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -12.538
flat angles C4'-P-C4' energy: -17.868
flat angles P-C4'-P energy: -10.002
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: 6, replica: 7
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -97.607462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.607462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.607462 (E_RNA)
where:
Base-Base interactions energy: -36.309
where: short stacking energy: -33.946
Base-Backbone interact. energy: -0.195
local terms energy: -61.103202
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -14.790
flat angles C4'-P-C4' energy: -15.946
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -5.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -139.600547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.600547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.600547 (E_RNA)
where:
Base-Base interactions energy: -93.167
where: short stacking energy: -43.917
Base-Backbone interact. energy: 1.209
local terms energy: -47.642606
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -9.869
flat angles C4'-P-C4' energy: -12.325
flat angles P-C4'-P energy: -4.069
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: 8, replica: 3
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -87.148829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.148829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.148829 (E_RNA)
where:
Base-Base interactions energy: -32.413
where: short stacking energy: -32.413
Base-Backbone interact. energy: -0.149
local terms energy: -54.586685
where:
bonds (distance) C4'-P energy: -11.454
bonds (distance) P-C4' energy: -16.301
flat angles C4'-P-C4' energy: -16.790
flat angles P-C4'-P energy: -6.383
tors. eta vs tors. theta energy: -3.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -77.967563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.967563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.967563 (E_RNA)
where:
Base-Base interactions energy: -34.826
where: short stacking energy: -23.122
Base-Backbone interact. energy: -0.164
local terms energy: -42.977753
where:
bonds (distance) C4'-P energy: -14.137
bonds (distance) P-C4' energy: -11.694
flat angles C4'-P-C4' energy: -14.057
flat angles P-C4'-P energy: -5.000
tors. eta vs tors. theta energy: 1.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -73.395709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.395709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.395709 (E_RNA)
where:
Base-Base interactions energy: -29.018
where: short stacking energy: -22.336
Base-Backbone interact. energy: -0.780
local terms energy: -43.597982
where:
bonds (distance) C4'-P energy: -11.971
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -10.549
flat angles P-C4'-P energy: -8.564
tors. eta vs tors. theta energy: 1.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -212.175964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.175964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.175964 (E_RNA)
where:
Base-Base interactions energy: -138.711
where: short stacking energy: -61.678
Base-Backbone interact. energy: -0.165
local terms energy: -73.300173
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -16.355
flat angles P-C4'-P energy: -13.181
tors. eta vs tors. theta energy: -12.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -198.367264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.367264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.367264 (E_RNA)
where:
Base-Base interactions energy: -129.790
where: short stacking energy: -73.917
Base-Backbone interact. energy: -0.001
local terms energy: -68.576476
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -13.270
flat angles C4'-P-C4' energy: -14.671
flat angles P-C4'-P energy: -11.493
tors. eta vs tors. theta energy: -15.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -183.594519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.594519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.594519 (E_RNA)
where:
Base-Base interactions energy: -111.876
where: short stacking energy: -63.166
Base-Backbone interact. energy: -0.021
local terms energy: -71.697565
where:
bonds (distance) C4'-P energy: -17.675
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -13.611
flat angles P-C4'-P energy: -11.140
tors. eta vs tors. theta energy: -15.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -182.642331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.642331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.642331 (E_RNA)
where:
Base-Base interactions energy: -106.924
where: short stacking energy: -54.517
Base-Backbone interact. energy: 1.210
local terms energy: -76.927696
where:
bonds (distance) C4'-P energy: -16.625
bonds (distance) P-C4' energy: -11.763
flat angles C4'-P-C4' energy: -16.459
flat angles P-C4'-P energy: -13.711
tors. eta vs tors. theta energy: -18.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -155.745553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.745553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.745553 (E_RNA)
where:
Base-Base interactions energy: -94.145
where: short stacking energy: -44.750
Base-Backbone interact. energy: -1.000
local terms energy: -60.600450
where:
bonds (distance) C4'-P energy: -14.424
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -11.092
flat angles P-C4'-P energy: -10.836
tors. eta vs tors. theta energy: -7.563
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: 7
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -97.780398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.780398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.780398 (E_RNA)
where:
Base-Base interactions energy: -33.875
where: short stacking energy: -33.875
Base-Backbone interact. energy: -0.176
local terms energy: -63.730001
where:
bonds (distance) C4'-P energy: -11.880
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -12.639
flat angles P-C4'-P energy: -13.658
tors. eta vs tors. theta energy: -8.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -95.493349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.493349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.493349 (E_RNA)
where:
Base-Base interactions energy: -34.993
where: short stacking energy: -33.234
Base-Backbone interact. energy: -0.203
local terms energy: -60.296435
where:
bonds (distance) C4'-P energy: -11.108
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -16.883
flat angles P-C4'-P energy: -11.078
tors. eta vs tors. theta energy: -5.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -104.588466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.588466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.588466 (E_RNA)
where:
Base-Base interactions energy: -52.818
where: short stacking energy: -52.818
Base-Backbone interact. energy: -0.295
local terms energy: -51.474769
where:
bonds (distance) C4'-P energy: -8.646
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -15.880
flat angles P-C4'-P energy: -2.378
tors. eta vs tors. theta energy: -10.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -75.992948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.992948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.992948 (E_RNA)
where:
Base-Base interactions energy: -34.935
where: short stacking energy: -22.768
Base-Backbone interact. energy: -0.151
local terms energy: -40.907020
where:
bonds (distance) C4'-P energy: -12.758
bonds (distance) P-C4' energy: -14.133
flat angles C4'-P-C4' energy: -8.562
flat angles P-C4'-P energy: -6.222
tors. eta vs tors. theta energy: 0.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -80.916778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.916778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.916778 (E_RNA)
where:
Base-Base interactions energy: -26.541
where: short stacking energy: -26.541
Base-Backbone interact. energy: -0.218
local terms energy: -54.158162
where:
bonds (distance) C4'-P energy: -17.630
bonds (distance) P-C4' energy: -9.563
flat angles C4'-P-C4' energy: -12.811
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: -4.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -213.266950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.266950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.266950 (E_RNA)
where:
Base-Base interactions energy: -138.499
where: short stacking energy: -51.344
Base-Backbone interact. energy: -0.269
local terms energy: -74.499451
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -16.635
flat angles P-C4'-P energy: -11.089
tors. eta vs tors. theta energy: -13.016
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: 9
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -199.619268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.619268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.619268 (E_RNA)
where:
Base-Base interactions energy: -126.048
where: short stacking energy: -72.653
Base-Backbone interact. energy: -0.016
local terms energy: -73.555546
where:
bonds (distance) C4'-P energy: -10.799
bonds (distance) P-C4' energy: -16.405
flat angles C4'-P-C4' energy: -17.438
flat angles P-C4'-P energy: -9.719
tors. eta vs tors. theta energy: -19.195
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: 33
Temperature: 1.000000
Total energy: -178.657030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.657030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.657030 (E_RNA)
where:
Base-Base interactions energy: -103.662
where: short stacking energy: -53.630
Base-Backbone interact. energy: -0.004
local terms energy: -74.990960
where:
bonds (distance) C4'-P energy: -12.967
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -16.212
flat angles P-C4'-P energy: -15.149
tors. eta vs tors. theta energy: -14.686
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: 4
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -171.091678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.091678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.091678 (E_RNA)
where:
Base-Base interactions energy: -104.346
where: short stacking energy: -59.636
Base-Backbone interact. energy: -0.008
local terms energy: -66.738092
where:
bonds (distance) C4'-P energy: -13.526
bonds (distance) P-C4' energy: -12.158
flat angles C4'-P-C4' energy: -17.436
flat angles P-C4'-P energy: -8.182
tors. eta vs tors. theta energy: -15.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -184.453578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.453578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.453578 (E_RNA)
where:
Base-Base interactions energy: -115.385
where: short stacking energy: -59.331
Base-Backbone interact. energy: -0.027
local terms energy: -69.041348
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -14.627
flat angles C4'-P-C4' energy: -16.957
flat angles P-C4'-P energy: -11.052
tors. eta vs tors. theta energy: -13.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -138.316557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.316557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.316557 (E_RNA)
where:
Base-Base interactions energy: -81.646
where: short stacking energy: -52.669
Base-Backbone interact. energy: -0.132
local terms energy: -56.538177
where:
bonds (distance) C4'-P energy: -10.131
bonds (distance) P-C4' energy: -17.306
flat angles C4'-P-C4' energy: -12.697
flat angles P-C4'-P energy: -6.172
tors. eta vs tors. theta energy: -10.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -103.949548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.949548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.949548 (E_RNA)
where:
Base-Base interactions energy: -50.585
where: short stacking energy: -42.813
Base-Backbone interact. energy: -0.360
local terms energy: -53.005145
where:
bonds (distance) C4'-P energy: -4.904
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -8.845
tors. eta vs tors. theta energy: -10.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -115.090416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.090416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.090416 (E_RNA)
where:
Base-Base interactions energy: -64.584
where: short stacking energy: -36.929
Base-Backbone interact. energy: -0.134
local terms energy: -50.372909
where:
bonds (distance) C4'-P energy: -12.493
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -12.914
flat angles P-C4'-P energy: -2.577
tors. eta vs tors. theta energy: -6.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -79.143839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.143839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.143839 (E_RNA)
where:
Base-Base interactions energy: -37.205
where: short stacking energy: -24.296
Base-Backbone interact. energy: -0.994
local terms energy: -40.945149
where:
bonds (distance) C4'-P energy: -6.327
bonds (distance) P-C4' energy: -12.946
flat angles C4'-P-C4' energy: -9.906
flat angles P-C4'-P energy: -9.680
tors. eta vs tors. theta energy: -2.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -78.230154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.230154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.230154 (E_RNA)
where:
Base-Base interactions energy: -25.353
where: short stacking energy: -25.356
Base-Backbone interact. energy: -0.045
local terms energy: -52.832059
where:
bonds (distance) C4'-P energy: -11.253
bonds (distance) P-C4' energy: -14.418
flat angles C4'-P-C4' energy: -12.711
flat angles P-C4'-P energy: -10.282
tors. eta vs tors. theta energy: -4.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -208.316059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.316059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.316059 (E_RNA)
where:
Base-Base interactions energy: -127.878
where: short stacking energy: -74.151
Base-Backbone interact. energy: -0.197
local terms energy: -80.241583
where:
bonds (distance) C4'-P energy: -17.030
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -13.317
flat angles P-C4'-P energy: -11.867
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: 2, replica: 2
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -190.350898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.350898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.350898 (E_RNA)
where:
Base-Base interactions energy: -114.120
where: short stacking energy: -50.036
Base-Backbone interact. energy: -0.118
local terms energy: -76.112334
where:
bonds (distance) C4'-P energy: -16.474
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -15.894
flat angles P-C4'-P energy: -13.177
tors. eta vs tors. theta energy: -13.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -172.538551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.538551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.538551 (E_RNA)
where:
Base-Base interactions energy: -106.410
where: short stacking energy: -58.284
Base-Backbone interact. energy: -0.008
local terms energy: -66.120237
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -14.436
flat angles C4'-P-C4' energy: -15.262
flat angles P-C4'-P energy: -11.164
tors. eta vs tors. theta energy: -12.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -154.321428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.321428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.321428 (E_RNA)
where:
Base-Base interactions energy: -90.878
where: short stacking energy: -48.061
Base-Backbone interact. energy: -0.044
local terms energy: -63.398962
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -11.131
flat angles P-C4'-P energy: -9.816
tors. eta vs tors. theta energy: -13.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -162.652094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.652094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.652094 (E_RNA)
where:
Base-Base interactions energy: -98.703
where: short stacking energy: -55.585
Base-Backbone interact. energy: -0.489
local terms energy: -63.460764
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -9.441
flat angles P-C4'-P energy: -11.026
tors. eta vs tors. theta energy: -15.571
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: 34
Temperature: 1.150000
Total energy: -130.912118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.912118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.912118 (E_RNA)
where:
Base-Base interactions energy: -81.002
where: short stacking energy: -42.797
Base-Backbone interact. energy: -0.328
local terms energy: -49.582412
where:
bonds (distance) C4'-P energy: -13.119
bonds (distance) P-C4' energy: -11.871
flat angles C4'-P-C4' energy: -8.509
flat angles P-C4'-P energy: -8.862
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: 3
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -113.227492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.227492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.227492 (E_RNA)
where:
Base-Base interactions energy: -57.535
where: short stacking energy: -36.905
Base-Backbone interact. energy: -0.012
local terms energy: -55.681092
where:
bonds (distance) C4'-P energy: -11.238
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -10.707
flat angles P-C4'-P energy: -9.345
tors. eta vs tors. theta energy: -8.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -80.115007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.115007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.115007 (E_RNA)
where:
Base-Base interactions energy: -29.380
where: short stacking energy: -24.358
Base-Backbone interact. energy: -0.579
local terms energy: -50.155746
where:
bonds (distance) C4'-P energy: -10.581
bonds (distance) P-C4' energy: -18.028
flat angles C4'-P-C4' energy: -13.169
flat angles P-C4'-P energy: -8.930
tors. eta vs tors. theta energy: 0.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -89.414131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.414131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.414131 (E_RNA)
where:
Base-Base interactions energy: -40.645
where: short stacking energy: -40.645
Base-Backbone interact. energy: -0.167
local terms energy: -48.602480
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -13.015
flat angles C4'-P-C4' energy: -11.440
flat angles P-C4'-P energy: -3.253
tors. eta vs tors. theta energy: -5.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -95.382286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.382286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.382286 (E_RNA)
where:
Base-Base interactions energy: -50.697
where: short stacking energy: -39.359
Base-Backbone interact. energy: 1.290
local terms energy: -45.975218
where:
bonds (distance) C4'-P energy: -10.680
bonds (distance) P-C4' energy: -8.139
flat angles C4'-P-C4' energy: -9.936
flat angles P-C4'-P energy: -11.002
tors. eta vs tors. theta energy: -6.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -207.401109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.401109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.401109 (E_RNA)
where:
Base-Base interactions energy: -130.151
where: short stacking energy: -74.091
Base-Backbone interact. energy: -0.701
local terms energy: -76.548964
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -13.900
flat angles P-C4'-P energy: -10.977
tors. eta vs tors. theta energy: -21.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -179.417111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.417111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.417111 (E_RNA)
where:
Base-Base interactions energy: -107.184
where: short stacking energy: -60.768
Base-Backbone interact. energy: 0.168
local terms energy: -72.401217
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -13.668
flat angles P-C4'-P energy: -11.212
tors. eta vs tors. theta energy: -16.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -182.975454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.975454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.975454 (E_RNA)
where:
Base-Base interactions energy: -113.564
where: short stacking energy: -58.921
Base-Backbone interact. energy: -0.069
local terms energy: -69.341818
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -13.938
flat angles C4'-P-C4' energy: -13.281
flat angles P-C4'-P energy: -11.514
tors. eta vs tors. theta energy: -15.926
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: 8
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -170.102440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.102440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.102440 (E_RNA)
where:
Base-Base interactions energy: -98.852
where: short stacking energy: -56.997
Base-Backbone interact. energy: -0.676
local terms energy: -70.574061
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -11.211
flat angles P-C4'-P energy: -9.499
tors. eta vs tors. theta energy: -16.457
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: 35
Temperature: 1.100000
Total energy: -155.578152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.578152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.578152 (E_RNA)
where:
Base-Base interactions energy: -97.583
where: short stacking energy: -52.347
Base-Backbone interact. energy: -0.499
local terms energy: -57.496919
where:
bonds (distance) C4'-P energy: -10.969
bonds (distance) P-C4' energy: -12.807
flat angles C4'-P-C4' energy: -14.579
flat angles P-C4'-P energy: -8.556
tors. eta vs tors. theta energy: -10.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -139.880306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.880306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.880306 (E_RNA)
where:
Base-Base interactions energy: -80.535
where: short stacking energy: -33.488
Base-Backbone interact. energy: -0.587
local terms energy: -58.757808
where:
bonds (distance) C4'-P energy: -16.806
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -12.769
flat angles P-C4'-P energy: -3.494
tors. eta vs tors. theta energy: -9.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -97.678203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.678203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.678203 (E_RNA)
where:
Base-Base interactions energy: -34.046
where: short stacking energy: -31.804
Base-Backbone interact. energy: -0.457
local terms energy: -63.175539
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -13.459
flat angles C4'-P-C4' energy: -16.699
flat angles P-C4'-P energy: -10.232
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: 10
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -84.609655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.609655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.609655 (E_RNA)
where:
Base-Base interactions energy: -44.555
where: short stacking energy: -29.070
Base-Backbone interact. energy: 1.664
local terms energy: -41.717930
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -7.467
flat angles C4'-P-C4' energy: -8.415
flat angles P-C4'-P energy: -6.394
tors. eta vs tors. theta energy: -4.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -97.427528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.427528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.427528 (E_RNA)
where:
Base-Base interactions energy: -43.245
where: short stacking energy: -36.371
Base-Backbone interact. energy: -0.023
local terms energy: -54.159080
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -12.663
flat angles C4'-P-C4' energy: -10.806
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -7.450
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: 6
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -76.322314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.322314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.322314 (E_RNA)
where:
Base-Base interactions energy: -23.642
where: short stacking energy: -23.642
Base-Backbone interact. energy: -0.127
local terms energy: -52.553405
where:
bonds (distance) C4'-P energy: -11.483
bonds (distance) P-C4' energy: -13.400
flat angles C4'-P-C4' energy: -14.983
flat angles P-C4'-P energy: -10.775
tors. eta vs tors. theta energy: -1.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -201.382322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.382322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.382322 (E_RNA)
where:
Base-Base interactions energy: -122.346
where: short stacking energy: -72.855
Base-Backbone interact. energy: -0.383
local terms energy: -78.653301
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -13.928
flat angles P-C4'-P energy: -10.619
tors. eta vs tors. theta energy: -20.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -172.748453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.748453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.748453 (E_RNA)
where:
Base-Base interactions energy: -93.633
where: short stacking energy: -59.238
Base-Backbone interact. energy: -3.003
local terms energy: -76.112097
where:
bonds (distance) C4'-P energy: -11.619
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -16.433
flat angles P-C4'-P energy: -11.378
tors. eta vs tors. theta energy: -20.926
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: 2
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -183.983627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.983627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.983627 (E_RNA)
where:
Base-Base interactions energy: -114.817
where: short stacking energy: -52.571
Base-Backbone interact. energy: -1.834
local terms energy: -67.332160
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -15.789
flat angles C4'-P-C4' energy: -14.810
flat angles P-C4'-P energy: -9.804
tors. eta vs tors. theta energy: -13.813
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: 36
Temperature: 1.050000
Total energy: -173.984749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.984749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.984749 (E_RNA)
where:
Base-Base interactions energy: -102.110
where: short stacking energy: -67.035
Base-Backbone interact. energy: -0.047
local terms energy: -71.827312
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -13.588
flat angles C4'-P-C4' energy: -14.023
flat angles P-C4'-P energy: -11.065
tors. eta vs tors. theta energy: -16.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -155.987123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.987123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.987123 (E_RNA)
where:
Base-Base interactions energy: -97.746
where: short stacking energy: -37.364
Base-Backbone interact. energy: -1.071
local terms energy: -57.169701
where:
bonds (distance) C4'-P energy: -10.393
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -13.411
flat angles P-C4'-P energy: -9.806
tors. eta vs tors. theta energy: -7.182
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: 5
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -129.302776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.302776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.302776 (E_RNA)
where:
Base-Base interactions energy: -70.243
where: short stacking energy: -41.456
Base-Backbone interact. energy: -0.623
local terms energy: -58.437075
where:
bonds (distance) C4'-P energy: -13.843
bonds (distance) P-C4' energy: -13.628
flat angles C4'-P-C4' energy: -15.845
flat angles P-C4'-P energy: -5.553
tors. eta vs tors. theta energy: -9.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -89.379028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.379028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.379028 (E_RNA)
where:
Base-Base interactions energy: -27.458
where: short stacking energy: -23.289
Base-Backbone interact. energy: 0.979
local terms energy: -62.900119
where:
bonds (distance) C4'-P energy: -17.095
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -12.622
flat angles P-C4'-P energy: -9.573
tors. eta vs tors. theta energy: -6.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -93.861924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.861924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.861924 (E_RNA)
where:
Base-Base interactions energy: -36.680
where: short stacking energy: -21.838
Base-Backbone interact. energy: -0.073
local terms energy: -57.108449
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -7.719
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: 9, replica: 6
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -72.336378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.336378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.336378 (E_RNA)
where:
Base-Base interactions energy: -28.370
where: short stacking energy: -28.370
Base-Backbone interact. energy: -0.323
local terms energy: -43.642576
where:
bonds (distance) C4'-P energy: -9.409
bonds (distance) P-C4' energy: -15.411
flat angles C4'-P-C4' energy: -12.633
flat angles P-C4'-P energy: -5.540
tors. eta vs tors. theta energy: -0.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -82.897643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.897643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.897643 (E_RNA)
where:
Base-Base interactions energy: -34.868
where: short stacking energy: -34.868
Base-Backbone interact. energy: 4.078
local terms energy: -52.106868
where:
bonds (distance) C4'-P energy: -10.286
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -14.248
flat angles P-C4'-P energy: -6.745
tors. eta vs tors. theta energy: -3.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -207.001884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.001884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.001884 (E_RNA)
where:
Base-Base interactions energy: -126.788
where: short stacking energy: -69.859
Base-Backbone interact. energy: 0.130
local terms energy: -80.343933
where:
bonds (distance) C4'-P energy: -16.992
bonds (distance) P-C4' energy: -15.254
flat angles C4'-P-C4' energy: -17.290
flat angles P-C4'-P energy: -11.768
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: 2, replica: 2
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -189.166645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.166645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.166645 (E_RNA)
where:
Base-Base interactions energy: -124.596
where: short stacking energy: -62.453
Base-Backbone interact. energy: -0.318
local terms energy: -64.252334
where:
bonds (distance) C4'-P energy: -11.403
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -15.294
flat angles P-C4'-P energy: -10.982
tors. eta vs tors. theta energy: -12.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -174.510791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.510791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.510791 (E_RNA)
where:
Base-Base interactions energy: -102.658
where: short stacking energy: -59.614
Base-Backbone interact. energy: -3.348
local terms energy: -68.504196
where:
bonds (distance) C4'-P energy: -13.588
bonds (distance) P-C4' energy: -13.436
flat angles C4'-P-C4' energy: -14.856
flat angles P-C4'-P energy: -11.776
tors. eta vs tors. theta energy: -14.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -153.388308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.388308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.388308 (E_RNA)
where:
Base-Base interactions energy: -89.743
where: short stacking energy: -43.872
Base-Backbone interact. energy: -0.285
local terms energy: -63.360532
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -12.074
flat angles C4'-P-C4' energy: -16.031
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: -11.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -153.962020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.962020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.962020 (E_RNA)
where:
Base-Base interactions energy: -88.357
where: short stacking energy: -48.073
Base-Backbone interact. energy: 0.474
local terms energy: -66.078938
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -9.805
flat angles C4'-P-C4' energy: -14.965
flat angles P-C4'-P energy: -10.309
tors. eta vs tors. theta energy: -15.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -143.860288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.860288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.860288 (E_RNA)
where:
Base-Base interactions energy: -78.252
where: short stacking energy: -57.185
Base-Backbone interact. energy: -0.018
local terms energy: -65.590406
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -13.639
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -10.922
tors. eta vs tors. theta energy: -11.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -90.016887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.016887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.016887 (E_RNA)
where:
Base-Base interactions energy: -48.417
where: short stacking energy: -28.581
Base-Backbone interact. energy: -0.769
local terms energy: -40.830973
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -11.825
flat angles C4'-P-C4' energy: -11.586
flat angles P-C4'-P energy: -4.528
tors. eta vs tors. theta energy: 2.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -90.318575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.318575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.318575 (E_RNA)
where:
Base-Base interactions energy: -33.449
where: short stacking energy: -33.178
Base-Backbone interact. energy: -0.086
local terms energy: -56.783224
where:
bonds (distance) C4'-P energy: -8.881
bonds (distance) P-C4' energy: -16.094
flat angles C4'-P-C4' energy: -14.728
flat angles P-C4'-P energy: -9.322
tors. eta vs tors. theta energy: -7.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -86.605463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.605463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.605463 (E_RNA)
where:
Base-Base interactions energy: -47.007
where: short stacking energy: -26.698
Base-Backbone interact. energy: -0.243
local terms energy: -39.354863
where:
bonds (distance) C4'-P energy: -9.420
bonds (distance) P-C4' energy: -13.795
flat angles C4'-P-C4' energy: -9.377
flat angles P-C4'-P energy: -6.991
tors. eta vs tors. theta energy: 0.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -88.658610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.658610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.658610 (E_RNA)
where:
Base-Base interactions energy: -43.008
where: short stacking energy: -41.684
Base-Backbone interact. energy: 0.545
local terms energy: -46.195706
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -9.854
flat angles C4'-P-C4' energy: -10.283
flat angles P-C4'-P energy: -6.840
tors. eta vs tors. theta energy: -6.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -201.493764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.493764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.493764 (E_RNA)
where:
Base-Base interactions energy: -128.481
where: short stacking energy: -58.905
Base-Backbone interact. energy: -0.331
local terms energy: -72.681400
where:
bonds (distance) C4'-P energy: -11.903
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -15.372
flat angles P-C4'-P energy: -9.271
tors. eta vs tors. theta energy: -18.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -173.640217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.640217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.640217 (E_RNA)
where:
Base-Base interactions energy: -104.929
where: short stacking energy: -61.625
Base-Backbone interact. energy: -0.091
local terms energy: -68.620478
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -18.147
flat angles P-C4'-P energy: -3.990
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: 3, replica: 4
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -179.211046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.211046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.211046 (E_RNA)
where:
Base-Base interactions energy: -101.276
where: short stacking energy: -53.531
Base-Backbone interact. energy: -1.151
local terms energy: -76.784390
where:
bonds (distance) C4'-P energy: -17.808
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -18.094
flat angles P-C4'-P energy: -11.418
tors. eta vs tors. theta energy: -11.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -167.323560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.323560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.323560 (E_RNA)
where:
Base-Base interactions energy: -103.523
where: short stacking energy: -71.066
Base-Backbone interact. energy: -0.001
local terms energy: -63.799370
where:
bonds (distance) C4'-P energy: -12.823
bonds (distance) P-C4' energy: -8.874
flat angles C4'-P-C4' energy: -15.246
flat angles P-C4'-P energy: -7.543
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: 8
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -157.394963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.394963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.394963 (E_RNA)
where:
Base-Base interactions energy: -84.911
where: short stacking energy: -48.782
Base-Backbone interact. energy: -0.352
local terms energy: -72.131830
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -14.865
flat angles P-C4'-P energy: -13.939
tors. eta vs tors. theta energy: -10.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -106.081399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.081399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.081399 (E_RNA)
where:
Base-Base interactions energy: -53.819
where: short stacking energy: -51.935
Base-Backbone interact. energy: -0.180
local terms energy: -52.082329
where:
bonds (distance) C4'-P energy: -9.243
bonds (distance) P-C4' energy: -8.952
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -6.578
tors. eta vs tors. theta energy: -12.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -98.331946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.331946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.331946 (E_RNA)
where:
Base-Base interactions energy: -47.709
where: short stacking energy: -35.477
Base-Backbone interact. energy: -0.095
local terms energy: -50.527987
where:
bonds (distance) C4'-P energy: -13.421
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -10.642
flat angles P-C4'-P energy: -11.615
tors. eta vs tors. theta energy: -0.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -93.435820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.435820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.435820 (E_RNA)
where:
Base-Base interactions energy: -43.355
where: short stacking energy: -30.669
Base-Backbone interact. energy: 0.515
local terms energy: -50.595984
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -5.918
flat angles P-C4'-P energy: -5.148
tors. eta vs tors. theta energy: -6.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -88.417577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.417577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.417577 (E_RNA)
where:
Base-Base interactions energy: -38.556
where: short stacking energy: -37.429
Base-Backbone interact. energy: 0.522
local terms energy: -50.383364
where:
bonds (distance) C4'-P energy: -14.650
bonds (distance) P-C4' energy: -11.866
flat angles C4'-P-C4' energy: -11.933
flat angles P-C4'-P energy: -3.896
tors. eta vs tors. theta energy: -8.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -74.043977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.043977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.043977 (E_RNA)
where:
Base-Base interactions energy: -32.611
where: short stacking energy: -21.326
Base-Backbone interact. energy: -0.179
local terms energy: -41.254359
where:
bonds (distance) C4'-P energy: -9.730
bonds (distance) P-C4' energy: -13.828
flat angles C4'-P-C4' energy: -8.727
flat angles P-C4'-P energy: -7.770
tors. eta vs tors. theta energy: -1.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -210.271682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.271682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.271682 (E_RNA)
where:
Base-Base interactions energy: -137.730
where: short stacking energy: -61.221
Base-Backbone interact. energy: -0.157
local terms energy: -72.384779
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -15.367
flat angles P-C4'-P energy: -9.394
tors. eta vs tors. theta energy: -17.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -164.356494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.356494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.356494 (E_RNA)
where:
Base-Base interactions energy: -97.801
where: short stacking energy: -47.293
Base-Backbone interact. energy: -0.295
local terms energy: -66.260910
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -12.995
flat angles C4'-P-C4' energy: -14.461
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -14.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -168.037108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.037108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.037108 (E_RNA)
where:
Base-Base interactions energy: -98.565
where: short stacking energy: -48.908
Base-Backbone interact. energy: -0.083
local terms energy: -69.389656
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -18.229
flat angles C4'-P-C4' energy: -13.568
flat angles P-C4'-P energy: -11.507
tors. eta vs tors. theta energy: -10.189
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: 7
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -175.118027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.118027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.118027 (E_RNA)
where:
Base-Base interactions energy: -101.030
where: short stacking energy: -66.772
Base-Backbone interact. energy: 0.194
local terms energy: -74.282246
where:
bonds (distance) C4'-P energy: -15.423
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -14.234
flat angles P-C4'-P energy: -10.770
tors. eta vs tors. theta energy: -19.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -143.077913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.077913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.077913 (E_RNA)
where:
Base-Base interactions energy: -81.883
where: short stacking energy: -39.732
Base-Backbone interact. energy: -0.167
local terms energy: -61.027164
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -14.891
flat angles C4'-P-C4' energy: -13.953
flat angles P-C4'-P energy: -7.702
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: 6, replica: 6
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -108.547667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.547667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.547667 (E_RNA)
where:
Base-Base interactions energy: -46.255
where: short stacking energy: -38.010
Base-Backbone interact. energy: -0.104
local terms energy: -62.188855
where:
bonds (distance) C4'-P energy: -13.582
bonds (distance) P-C4' energy: -15.058
flat angles C4'-P-C4' energy: -12.886
flat angles P-C4'-P energy: -10.975
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: 7, replica: 5
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -103.248072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.248072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.248072 (E_RNA)
where:
Base-Base interactions energy: -45.795
where: short stacking energy: -41.054
Base-Backbone interact. energy: -0.028
local terms energy: -57.424964
where:
bonds (distance) C4'-P energy: -9.055
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -13.944
flat angles P-C4'-P energy: -6.409
tors. eta vs tors. theta energy: -9.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -93.205565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.205565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.205565 (E_RNA)
where:
Base-Base interactions energy: -43.725
where: short stacking energy: -39.333
Base-Backbone interact. energy: -0.173
local terms energy: -49.307114
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -8.959
flat angles P-C4'-P energy: -6.354
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: 9, replica: 10
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -87.776996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.776996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.776996 (E_RNA)
where:
Base-Base interactions energy: -34.362
where: short stacking energy: -31.308
Base-Backbone interact. energy: -0.103
local terms energy: -53.311339
where:
bonds (distance) C4'-P energy: -9.524
bonds (distance) P-C4' energy: -14.246
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -9.670
tors. eta vs tors. theta energy: -6.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -75.775595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.775595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.775595 (E_RNA)
where:
Base-Base interactions energy: -29.734
where: short stacking energy: -27.324
Base-Backbone interact. energy: -0.179
local terms energy: -45.862633
where:
bonds (distance) C4'-P energy: -7.934
bonds (distance) P-C4' energy: -8.998
flat angles C4'-P-C4' energy: -14.058
flat angles P-C4'-P energy: -13.687
tors. eta vs tors. theta energy: -1.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -212.319274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.319274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.319274 (E_RNA)
where:
Base-Base interactions energy: -140.622
where: short stacking energy: -60.380
Base-Backbone interact. energy: 0.257
local terms energy: -71.954272
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -15.394
flat angles P-C4'-P energy: -9.254
tors. eta vs tors. theta energy: -16.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -178.023640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.023640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.023640 (E_RNA)
where:
Base-Base interactions energy: -109.515
where: short stacking energy: -68.150
Base-Backbone interact. energy: -0.415
local terms energy: -68.093477
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -16.254
flat angles P-C4'-P energy: -9.662
tors. eta vs tors. theta energy: -14.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -168.298117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.298117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.298117 (E_RNA)
where:
Base-Base interactions energy: -106.430
where: short stacking energy: -56.174
Base-Backbone interact. energy: -0.106
local terms energy: -61.761571
where:
bonds (distance) C4'-P energy: -12.554
bonds (distance) P-C4' energy: -11.761
flat angles C4'-P-C4' energy: -15.477
flat angles P-C4'-P energy: -9.614
tors. eta vs tors. theta energy: -12.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -150.328405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.328405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.328405 (E_RNA)
where:
Base-Base interactions energy: -93.048
where: short stacking energy: -56.018
Base-Backbone interact. energy: -0.033
local terms energy: -57.247797
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -9.166
flat angles C4'-P-C4' energy: -14.957
flat angles P-C4'-P energy: -9.880
tors. eta vs tors. theta energy: -9.175
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: 8
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -163.340069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.340069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.340069 (E_RNA)
where:
Base-Base interactions energy: -105.066
where: short stacking energy: -52.153
Base-Backbone interact. energy: -0.842
local terms energy: -57.432433
where:
bonds (distance) C4'-P energy: -9.834
bonds (distance) P-C4' energy: -12.345
flat angles C4'-P-C4' energy: -11.793
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: -12.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -92.009822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.009822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.009822 (E_RNA)
where:
Base-Base interactions energy: -41.731
where: short stacking energy: -34.759
Base-Backbone interact. energy: -0.959
local terms energy: -49.320225
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -9.220
flat angles P-C4'-P energy: -7.958
tors. eta vs tors. theta energy: -2.355
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: 40
Temperature: 1.200000
Total energy: -97.229697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.229697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.229697 (E_RNA)
where:
Base-Base interactions energy: -45.869
where: short stacking energy: -38.136
Base-Backbone interact. energy: -0.181
local terms energy: -51.179562
where:
bonds (distance) C4'-P energy: -12.546
bonds (distance) P-C4' energy: -7.062
flat angles C4'-P-C4' energy: -16.033
flat angles P-C4'-P energy: -9.844
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: 8, replica: 5
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -86.979742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.979742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.979742 (E_RNA)
where:
Base-Base interactions energy: -32.065
where: short stacking energy: -31.362
Base-Backbone interact. energy: -0.111
local terms energy: -54.803652
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -15.880
flat angles P-C4'-P energy: -6.069
tors. eta vs tors. theta energy: -4.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -96.943648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.943648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.943648 (E_RNA)
where:
Base-Base interactions energy: -36.064
where: short stacking energy: -35.663
Base-Backbone interact. energy: -0.085
local terms energy: -60.794572
where:
bonds (distance) C4'-P energy: -14.564
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -14.417
flat angles P-C4'-P energy: -7.014
tors. eta vs tors. theta energy: -8.359
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: 10
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -74.856900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.856900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.856900 (E_RNA)
where:
Base-Base interactions energy: -27.458
where: short stacking energy: -27.458
Base-Backbone interact. energy: -0.021
local terms energy: -47.377566
where:
bonds (distance) C4'-P energy: -11.578
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -10.256
flat angles P-C4'-P energy: -7.015
tors. eta vs tors. theta energy: -4.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -201.278834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.278834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.278834 (E_RNA)
where:
Base-Base interactions energy: -133.249
where: short stacking energy: -60.610
Base-Backbone interact. energy: -0.018
local terms energy: -68.012083
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -14.729
flat angles P-C4'-P energy: -9.440
tors. eta vs tors. theta energy: -16.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -181.652524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.652524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.652524 (E_RNA)
where:
Base-Base interactions energy: -107.253
where: short stacking energy: -67.052
Base-Backbone interact. energy: -2.053
local terms energy: -72.346817
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -14.411
flat angles C4'-P-C4' energy: -17.830
flat angles P-C4'-P energy: -7.524
tors. eta vs tors. theta energy: -17.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -177.169130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.169130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.169130 (E_RNA)
where:
Base-Base interactions energy: -105.839
where: short stacking energy: -61.977
Base-Backbone interact. energy: -0.607
local terms energy: -70.723803
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -15.624
flat angles C4'-P-C4' energy: -14.434
flat angles P-C4'-P energy: -10.942
tors. eta vs tors. theta energy: -15.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -178.094328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.094328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.094328 (E_RNA)
where:
Base-Base interactions energy: -110.374
where: short stacking energy: -60.476
Base-Backbone interact. energy: -0.001
local terms energy: -67.719334
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -14.341
flat angles C4'-P-C4' energy: -15.602
flat angles P-C4'-P energy: -8.136
tors. eta vs tors. theta energy: -17.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -158.723071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.723071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.723071 (E_RNA)
where:
Base-Base interactions energy: -100.514
where: short stacking energy: -39.310
Base-Backbone interact. energy: 1.105
local terms energy: -59.313479
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -16.067
flat angles C4'-P-C4' energy: -13.490
flat angles P-C4'-P energy: -6.228
tors. eta vs tors. theta energy: -10.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -96.387992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.387992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.387992 (E_RNA)
where:
Base-Base interactions energy: -38.015
where: short stacking energy: -36.851
Base-Backbone interact. energy: 0.763
local terms energy: -59.135595
where:
bonds (distance) C4'-P energy: -15.147
bonds (distance) P-C4' energy: -17.342
flat angles C4'-P-C4' energy: -14.392
flat angles P-C4'-P energy: -8.774
tors. eta vs tors. theta energy: -3.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -90.595253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.595253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.595253 (E_RNA)
where:
Base-Base interactions energy: -42.378
where: short stacking energy: -26.138
Base-Backbone interact. energy: -0.467
local terms energy: -47.750250
where:
bonds (distance) C4'-P energy: -12.613
bonds (distance) P-C4' energy: -10.482
flat angles C4'-P-C4' energy: -13.059
flat angles P-C4'-P energy: -9.952
tors. eta vs tors. theta energy: -1.644
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: 8, replica: 3
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -95.681862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.681862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.681862 (E_RNA)
where:
Base-Base interactions energy: -45.573
where: short stacking energy: -36.781
Base-Backbone interact. energy: -0.061
local terms energy: -50.048463
where:
bonds (distance) C4'-P energy: -9.053
bonds (distance) P-C4' energy: -6.340
flat angles C4'-P-C4' energy: -16.811
flat angles P-C4'-P energy: -11.221
tors. eta vs tors. theta energy: -6.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -87.167722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.167722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.167722 (E_RNA)
where:
Base-Base interactions energy: -29.615
where: short stacking energy: -29.238
Base-Backbone interact. energy: -0.154
local terms energy: -57.398557
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -7.575
flat angles P-C4'-P energy: -12.318
tors. eta vs tors. theta energy: -6.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -79.056878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.056878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.056878 (E_RNA)
where:
Base-Base interactions energy: -28.300
where: short stacking energy: -22.860
Base-Backbone interact. energy: 0.390
local terms energy: -51.146488
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -13.785
flat angles P-C4'-P energy: -12.111
tors. eta vs tors. theta energy: 0.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -208.276193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.276193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.276193 (E_RNA)
where:
Base-Base interactions energy: -145.380
where: short stacking energy: -53.497
Base-Backbone interact. energy: -0.103
local terms energy: -62.793172
where:
bonds (distance) C4'-P energy: -14.676
bonds (distance) P-C4' energy: -8.031
flat angles C4'-P-C4' energy: -14.652
flat angles P-C4'-P energy: -10.494
tors. eta vs tors. theta energy: -14.940
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: 2, replica: 4
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -179.264247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.264247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.264247 (E_RNA)
where:
Base-Base interactions energy: -115.374
where: short stacking energy: -63.135
Base-Backbone interact. energy: -0.181
local terms energy: -63.709176
where:
bonds (distance) C4'-P energy: -11.213
bonds (distance) P-C4' energy: -15.341
flat angles C4'-P-C4' energy: -12.194
flat angles P-C4'-P energy: -9.200
tors. eta vs tors. theta energy: -15.760
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: 3, replica: 7
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -170.906198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.906198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.906198 (E_RNA)
where:
Base-Base interactions energy: -111.177
where: short stacking energy: -53.339
Base-Backbone interact. energy: -0.159
local terms energy: -59.570901
where:
bonds (distance) C4'-P energy: -16.749
bonds (distance) P-C4' energy: -17.236
flat angles C4'-P-C4' energy: -12.455
flat angles P-C4'-P energy: -4.811
tors. eta vs tors. theta energy: -8.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -162.892134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.892134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.892134 (E_RNA)
where:
Base-Base interactions energy: -93.610
where: short stacking energy: -57.865
Base-Backbone interact. energy: -0.200
local terms energy: -69.082253
where:
bonds (distance) C4'-P energy: -12.684
bonds (distance) P-C4' energy: -14.897
flat angles C4'-P-C4' energy: -15.874
flat angles P-C4'-P energy: -10.588
tors. eta vs tors. theta energy: -15.040
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: 8
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -153.015925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.015925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.015925 (E_RNA)
where:
Base-Base interactions energy: -102.211
where: short stacking energy: -56.077
Base-Backbone interact. energy: -0.617
local terms energy: -50.188158
where:
bonds (distance) C4'-P energy: -10.244
bonds (distance) P-C4' energy: -12.219
flat angles C4'-P-C4' energy: -7.860
flat angles P-C4'-P energy: -5.188
tors. eta vs tors. theta energy: -14.678
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: 1
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -104.020728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.020728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.020728 (E_RNA)
where:
Base-Base interactions energy: -50.383
where: short stacking energy: -25.934
Base-Backbone interact. energy: -0.154
local terms energy: -53.483780
where:
bonds (distance) C4'-P energy: -12.938
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -10.313
flat angles P-C4'-P energy: -11.866
tors. eta vs tors. theta energy: -3.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -109.877059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.877059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.877059 (E_RNA)
where:
Base-Base interactions energy: -48.506
where: short stacking energy: -48.506
Base-Backbone interact. energy: -0.000
local terms energy: -61.370386
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -13.226
flat angles C4'-P-C4' energy: -13.230
flat angles P-C4'-P energy: -7.030
tors. eta vs tors. theta energy: -13.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -110.206623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.206623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.206623 (E_RNA)
where:
Base-Base interactions energy: -51.517
where: short stacking energy: -32.840
Base-Backbone interact. energy: -0.207
local terms energy: -58.482116
where:
bonds (distance) C4'-P energy: -16.160
bonds (distance) P-C4' energy: -15.081
flat angles C4'-P-C4' energy: -14.780
flat angles P-C4'-P energy: -6.854
tors. eta vs tors. theta energy: -5.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -81.191352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.191352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.191352 (E_RNA)
where:
Base-Base interactions energy: -37.965
where: short stacking energy: -31.706
Base-Backbone interact. energy: -0.176
local terms energy: -43.049437
where:
bonds (distance) C4'-P energy: -9.748
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -5.244
flat angles P-C4'-P energy: -10.084
tors. eta vs tors. theta energy: -4.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -80.583758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.583758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.583758 (E_RNA)
where:
Base-Base interactions energy: -31.330
where: short stacking energy: -31.330
Base-Backbone interact. energy: -0.132
local terms energy: -49.121717
where:
bonds (distance) C4'-P energy: -7.596
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -13.918
flat angles P-C4'-P energy: -7.067
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: 1, replica: 2
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -207.539052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.539052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.539052 (E_RNA)
where:
Base-Base interactions energy: -137.060
where: short stacking energy: -55.383
Base-Backbone interact. energy: -0.100
local terms energy: -70.379225
where:
bonds (distance) C4'-P energy: -16.054
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -15.907
flat angles P-C4'-P energy: -8.216
tors. eta vs tors. theta energy: -13.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -193.064562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.064562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.064562 (E_RNA)
where:
Base-Base interactions energy: -112.701
where: short stacking energy: -61.029
Base-Backbone interact. energy: -1.189
local terms energy: -79.174434
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -12.766
tors. eta vs tors. theta energy: -17.341
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: 7
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -167.533327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.533327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.533327 (E_RNA)
where:
Base-Base interactions energy: -103.330
where: short stacking energy: -58.530
Base-Backbone interact. energy: 0.607
local terms energy: -64.809925
where:
bonds (distance) C4'-P energy: -18.503
bonds (distance) P-C4' energy: -14.017
flat angles C4'-P-C4' energy: -13.122
flat angles P-C4'-P energy: -9.141
tors. eta vs tors. theta energy: -10.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -169.268787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.268787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.268787 (E_RNA)
where:
Base-Base interactions energy: -95.558
where: short stacking energy: -58.746
Base-Backbone interact. energy: -0.023
local terms energy: -73.687061
where:
bonds (distance) C4'-P energy: -15.369
bonds (distance) P-C4' energy: -12.758
flat angles C4'-P-C4' energy: -17.102
flat angles P-C4'-P energy: -8.651
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: 5, replica: 9
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -168.589926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.589926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.589926 (E_RNA)
where:
Base-Base interactions energy: -96.439
where: short stacking energy: -53.021
Base-Backbone interact. energy: -0.065
local terms energy: -72.085790
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -15.720
flat angles P-C4'-P energy: -12.432
tors. eta vs tors. theta energy: -9.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -104.443912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.443912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.443912 (E_RNA)
where:
Base-Base interactions energy: -49.181
where: short stacking energy: -49.181
Base-Backbone interact. energy: -0.397
local terms energy: -54.865688
where:
bonds (distance) C4'-P energy: -10.091
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -9.446
flat angles P-C4'-P energy: -5.074
tors. eta vs tors. theta energy: -14.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -95.428032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.428032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.428032 (E_RNA)
where:
Base-Base interactions energy: -38.327
where: short stacking energy: -26.198
Base-Backbone interact. energy: -0.371
local terms energy: -56.729438
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -7.360
tors. eta vs tors. theta energy: -4.226
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: 6
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -94.210551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.210551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.210551 (E_RNA)
where:
Base-Base interactions energy: -46.024
where: short stacking energy: -31.883
Base-Backbone interact. energy: -1.397
local terms energy: -46.789813
where:
bonds (distance) C4'-P energy: -12.785
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -13.832
flat angles P-C4'-P energy: -2.984
tors. eta vs tors. theta energy: -2.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -80.896257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.896257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.896257 (E_RNA)
where:
Base-Base interactions energy: -35.298
where: short stacking energy: -27.154
Base-Backbone interact. energy: -0.326
local terms energy: -45.272387
where:
bonds (distance) C4'-P energy: -16.211
bonds (distance) P-C4' energy: -10.844
flat angles C4'-P-C4' energy: -10.791
flat angles P-C4'-P energy: -8.504
tors. eta vs tors. theta energy: 1.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -84.461822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.461822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.461822 (E_RNA)
where:
Base-Base interactions energy: -29.227
where: short stacking energy: -29.227
Base-Backbone interact. energy: -0.001
local terms energy: -55.233203
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -10.730
flat angles C4'-P-C4' energy: -15.108
flat angles P-C4'-P energy: -7.118
tors. eta vs tors. theta energy: -9.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -183.453121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.453121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.453121 (E_RNA)
where:
Base-Base interactions energy: -115.105
where: short stacking energy: -54.368
Base-Backbone interact. energy: -0.104
local terms energy: -68.243677
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -12.517
flat angles P-C4'-P energy: -5.740
tors. eta vs tors. theta energy: -17.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -201.952803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.952803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.952803 (E_RNA)
where:
Base-Base interactions energy: -133.209
where: short stacking energy: -51.203
Base-Backbone interact. energy: -1.548
local terms energy: -67.195933
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -13.863
flat angles C4'-P-C4' energy: -15.903
flat angles P-C4'-P energy: -13.280
tors. eta vs tors. theta energy: -10.491
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: 3, replica: 8
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -177.268751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.268751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.268751 (E_RNA)
where:
Base-Base interactions energy: -105.562
where: short stacking energy: -60.687
Base-Backbone interact. energy: -0.029
local terms energy: -71.677583
where:
bonds (distance) C4'-P energy: -15.313
bonds (distance) P-C4' energy: -17.671
flat angles C4'-P-C4' energy: -14.413
flat angles P-C4'-P energy: -6.488
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: 7
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -166.880751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.880751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.880751 (E_RNA)
where:
Base-Base interactions energy: -92.840
where: short stacking energy: -55.407
Base-Backbone interact. energy: -0.905
local terms energy: -73.135059
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -15.218
flat angles P-C4'-P energy: -11.254
tors. eta vs tors. theta energy: -14.182
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: 9
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -152.995661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.995661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.995661 (E_RNA)
where:
Base-Base interactions energy: -87.284
where: short stacking energy: -48.000
Base-Backbone interact. energy: -0.004
local terms energy: -65.708056
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -14.743
flat angles C4'-P-C4' energy: -15.672
flat angles P-C4'-P energy: -8.442
tors. eta vs tors. theta energy: -12.885
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: 3
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -93.359358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.359358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.359358 (E_RNA)
where:
Base-Base interactions energy: -38.256
where: short stacking energy: -38.256
Base-Backbone interact. energy: -0.124
local terms energy: -54.979526
where:
bonds (distance) C4'-P energy: -12.912
bonds (distance) P-C4' energy: -13.229
flat angles C4'-P-C4' energy: -13.429
flat angles P-C4'-P energy: -4.829
tors. eta vs tors. theta energy: -10.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -93.552081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.552081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.552081 (E_RNA)
where:
Base-Base interactions energy: -42.572
where: short stacking energy: -33.676
Base-Backbone interact. energy: -0.118
local terms energy: -50.862249
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -11.443
flat angles C4'-P-C4' energy: -11.139
flat angles P-C4'-P energy: -5.797
tors. eta vs tors. theta energy: -8.340
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: 6
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -90.150579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.150579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.150579 (E_RNA)
where:
Base-Base interactions energy: -39.302
where: short stacking energy: -39.089
Base-Backbone interact. energy: 3.967
local terms energy: -54.815420
where:
bonds (distance) C4'-P energy: -11.846
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -13.182
flat angles P-C4'-P energy: -7.849
tors. eta vs tors. theta energy: -5.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -80.546282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.546282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.546282 (E_RNA)
where:
Base-Base interactions energy: -27.609
where: short stacking energy: -27.322
Base-Backbone interact. energy: -0.079
local terms energy: -52.858409
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -13.447
flat angles C4'-P-C4' energy: -13.693
flat angles P-C4'-P energy: -6.561
tors. eta vs tors. theta energy: -3.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -79.355292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.355292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.355292 (E_RNA)
where:
Base-Base interactions energy: -29.031
where: short stacking energy: -19.652
Base-Backbone interact. energy: -1.306
local terms energy: -49.018241
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -11.944
flat angles P-C4'-P energy: -9.553
tors. eta vs tors. theta energy: 0.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -192.519110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.519110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.519110 (E_RNA)
where:
Base-Base interactions energy: -119.700
where: short stacking energy: -52.274
Base-Backbone interact. energy: -0.520
local terms energy: -72.298708
where:
bonds (distance) C4'-P energy: -12.071
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -15.602
flat angles P-C4'-P energy: -13.089
tors. eta vs tors. theta energy: -14.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -201.501880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.501880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.501880 (E_RNA)
where:
Base-Base interactions energy: -130.805
where: short stacking energy: -55.132
Base-Backbone interact. energy: -0.015
local terms energy: -70.682151
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -16.740
flat angles C4'-P-C4' energy: -11.429
flat angles P-C4'-P energy: -13.476
tors. eta vs tors. theta energy: -11.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -157.513695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.513695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.513695 (E_RNA)
where:
Base-Base interactions energy: -86.699
where: short stacking energy: -55.063
Base-Backbone interact. energy: -0.016
local terms energy: -70.798536
where:
bonds (distance) C4'-P energy: -11.473
bonds (distance) P-C4' energy: -14.931
flat angles C4'-P-C4' energy: -17.015
flat angles P-C4'-P energy: -10.084
tors. eta vs tors. theta energy: -17.295
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: 45
Temperature: 1.050000
Total energy: -157.587177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.587177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.587177 (E_RNA)
where:
Base-Base interactions energy: -93.200
where: short stacking energy: -48.195
Base-Backbone interact. energy: -0.068
local terms energy: -64.319327
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -14.173
flat angles P-C4'-P energy: -9.557
tors. eta vs tors. theta energy: -10.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -151.171343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.171343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.171343 (E_RNA)
where:
Base-Base interactions energy: -84.393
where: short stacking energy: -49.081
Base-Backbone interact. energy: 0.275
local terms energy: -67.053862
where:
bonds (distance) C4'-P energy: -14.089
bonds (distance) P-C4' energy: -11.302
flat angles C4'-P-C4' energy: -14.471
flat angles P-C4'-P energy: -12.702
tors. eta vs tors. theta energy: -14.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -111.164645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.164645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.164645 (E_RNA)
where:
Base-Base interactions energy: -50.142
where: short stacking energy: -50.142
Base-Backbone interact. energy: 1.027
local terms energy: -62.049732
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -11.604
flat angles C4'-P-C4' energy: -17.258
flat angles P-C4'-P energy: -6.019
tors. eta vs tors. theta energy: -11.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -96.027983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.027983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.027983 (E_RNA)
where:
Base-Base interactions energy: -40.647
where: short stacking energy: -33.200
Base-Backbone interact. energy: -1.089
local terms energy: -54.292269
where:
bonds (distance) C4'-P energy: -10.116
bonds (distance) P-C4' energy: -10.111
flat angles C4'-P-C4' energy: -13.375
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -9.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -85.511600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.511600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.511600 (E_RNA)
where:
Base-Base interactions energy: -40.672
where: short stacking energy: -29.028
Base-Backbone interact. energy: -0.568
local terms energy: -44.271703
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -13.525
flat angles C4'-P-C4' energy: -10.874
flat angles P-C4'-P energy: -7.859
tors. eta vs tors. theta energy: 2.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -74.526708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.526708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.526708 (E_RNA)
where:
Base-Base interactions energy: -35.332
where: short stacking energy: -27.492
Base-Backbone interact. energy: -0.458
local terms energy: -38.736139
where:
bonds (distance) C4'-P energy: -9.905
bonds (distance) P-C4' energy: -8.941
flat angles C4'-P-C4' energy: -7.448
flat angles P-C4'-P energy: -11.991
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: 10
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -78.536159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.536159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.536159 (E_RNA)
where:
Base-Base interactions energy: -39.721
where: short stacking energy: -24.195
Base-Backbone interact. energy: -0.297
local terms energy: -38.518557
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -9.611
flat angles C4'-P-C4' energy: -7.206
flat angles P-C4'-P energy: -4.935
tors. eta vs tors. theta energy: -3.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -202.663979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.663979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.663979 (E_RNA)
where:
Base-Base interactions energy: -130.702
where: short stacking energy: -62.029
Base-Backbone interact. energy: -1.128
local terms energy: -70.833605
where:
bonds (distance) C4'-P energy: -12.309
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -15.717
flat angles P-C4'-P energy: -9.447
tors. eta vs tors. theta energy: -17.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -174.907993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.907993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.907993 (E_RNA)
where:
Base-Base interactions energy: -101.529
where: short stacking energy: -56.159
Base-Backbone interact. energy: -0.151
local terms energy: -73.228328
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -16.355
flat angles C4'-P-C4' energy: -14.285
flat angles P-C4'-P energy: -11.097
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: 3, replica: 9
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -169.304165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.304165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.304165 (E_RNA)
where:
Base-Base interactions energy: -95.810
where: short stacking energy: -56.766
Base-Backbone interact. energy: -0.671
local terms energy: -72.823097
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -14.601
flat angles C4'-P-C4' energy: -16.256
flat angles P-C4'-P energy: -12.603
tors. eta vs tors. theta energy: -14.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -167.781301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.781301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.781301 (E_RNA)
where:
Base-Base interactions energy: -101.247
where: short stacking energy: -51.347
Base-Backbone interact. energy: -0.028
local terms energy: -66.506264
where:
bonds (distance) C4'-P energy: -12.155
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -14.264
flat angles P-C4'-P energy: -11.669
tors. eta vs tors. theta energy: -14.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -101.646348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.646348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.646348 (E_RNA)
where:
Base-Base interactions energy: -45.535
where: short stacking energy: -45.535
Base-Backbone interact. energy: 0.966
local terms energy: -57.077521
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -13.783
flat angles P-C4'-P energy: -7.340
tors. eta vs tors. theta energy: -8.649
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: 7
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -127.359484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.359484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.359484 (E_RNA)
where:
Base-Base interactions energy: -69.053
where: short stacking energy: -45.451
Base-Backbone interact. energy: -0.149
local terms energy: -58.157481
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -11.965
flat angles C4'-P-C4' energy: -13.939
flat angles P-C4'-P energy: -8.520
tors. eta vs tors. theta energy: -9.944
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: 7, replica: 5
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -93.062631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.062631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.062631 (E_RNA)
where:
Base-Base interactions energy: -52.573
where: short stacking energy: -33.274
Base-Backbone interact. energy: 0.854
local terms energy: -41.343129
where:
bonds (distance) C4'-P energy: -11.817
bonds (distance) P-C4' energy: -11.684
flat angles C4'-P-C4' energy: -11.158
flat angles P-C4'-P energy: -3.366
tors. eta vs tors. theta energy: -3.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -92.403579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.403579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.403579 (E_RNA)
where:
Base-Base interactions energy: -41.127
where: short stacking energy: -38.476
Base-Backbone interact. energy: 1.312
local terms energy: -52.589025
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -5.770
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: -6.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -79.806397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.806397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.806397 (E_RNA)
where:
Base-Base interactions energy: -36.485
where: short stacking energy: -29.965
Base-Backbone interact. energy: -1.111
local terms energy: -42.210012
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -10.000
flat angles C4'-P-C4' energy: -7.629
flat angles P-C4'-P energy: -7.352
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: 10
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -68.059543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.059543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.059543 (E_RNA)
where:
Base-Base interactions energy: -26.327
where: short stacking energy: -21.969
Base-Backbone interact. energy: -0.435
local terms energy: -41.297368
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -10.748
flat angles P-C4'-P energy: -4.053
tors. eta vs tors. theta energy: 2.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -205.315657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.315657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.315657 (E_RNA)
where:
Base-Base interactions energy: -137.129
where: short stacking energy: -56.961
Base-Backbone interact. energy: -0.037
local terms energy: -68.149798
where:
bonds (distance) C4'-P energy: -11.061
bonds (distance) P-C4' energy: -16.927
flat angles C4'-P-C4' energy: -12.289
flat angles P-C4'-P energy: -12.394
tors. eta vs tors. theta energy: -15.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -186.091199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.091199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.091199 (E_RNA)
where:
Base-Base interactions energy: -107.300
where: short stacking energy: -69.518
Base-Backbone interact. energy: -1.680
local terms energy: -77.111738
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -15.272
flat angles C4'-P-C4' energy: -16.952
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -21.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -179.979182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.979182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.979182 (E_RNA)
where:
Base-Base interactions energy: -117.718
where: short stacking energy: -61.954
Base-Backbone interact. energy: -0.634
local terms energy: -61.627422
where:
bonds (distance) C4'-P energy: -10.495
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -12.228
flat angles P-C4'-P energy: -7.097
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: 4, replica: 8
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -158.837244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.837244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.837244 (E_RNA)
where:
Base-Base interactions energy: -91.467
where: short stacking energy: -54.038
Base-Backbone interact. energy: -0.362
local terms energy: -67.008346
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -15.292
flat angles P-C4'-P energy: -6.053
tors. eta vs tors. theta energy: -15.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -107.635729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.635729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.635729 (E_RNA)
where:
Base-Base interactions energy: -58.175
where: short stacking energy: -24.292
Base-Backbone interact. energy: -0.214
local terms energy: -49.246991
where:
bonds (distance) C4'-P energy: -16.296
bonds (distance) P-C4' energy: -14.518
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -5.528
tors. eta vs tors. theta energy: 2.527
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: 5
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -112.364622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.364622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.364622 (E_RNA)
where:
Base-Base interactions energy: -64.000
where: short stacking energy: -29.408
Base-Backbone interact. energy: 0.867
local terms energy: -49.231096
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -11.282
flat angles C4'-P-C4' energy: -12.303
flat angles P-C4'-P energy: -7.363
tors. eta vs tors. theta energy: -4.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -102.457585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.457585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.457585 (E_RNA)
where:
Base-Base interactions energy: -41.385
where: short stacking energy: -33.618
Base-Backbone interact. energy: -0.095
local terms energy: -60.977676
where:
bonds (distance) C4'-P energy: -14.679
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -2.634
tors. eta vs tors. theta energy: -12.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -96.447094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.447094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.447094 (E_RNA)
where:
Base-Base interactions energy: -39.776
where: short stacking energy: -27.129
Base-Backbone interact. energy: 0.172
local terms energy: -56.844086
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -10.461
tors. eta vs tors. theta energy: -2.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -81.515552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.515552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.515552 (E_RNA)
where:
Base-Base interactions energy: -29.901
where: short stacking energy: -29.452
Base-Backbone interact. energy: 1.011
local terms energy: -52.625673
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -12.321
flat angles C4'-P-C4' energy: -17.027
flat angles P-C4'-P energy: -5.126
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: 10, replica: 10
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -72.987289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.987289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.987289 (E_RNA)
where:
Base-Base interactions energy: -29.292
where: short stacking energy: -27.587
Base-Backbone interact. energy: -0.201
local terms energy: -43.493976
where:
bonds (distance) C4'-P energy: -9.239
bonds (distance) P-C4' energy: -13.126
flat angles C4'-P-C4' energy: -10.111
flat angles P-C4'-P energy: -7.005
tors. eta vs tors. theta energy: -4.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -174.789975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.789975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.789975 (E_RNA)
where:
Base-Base interactions energy: -104.518
where: short stacking energy: -56.490
Base-Backbone interact. energy: -0.078
local terms energy: -70.193968
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -13.186
flat angles C4'-P-C4' energy: -15.450
flat angles P-C4'-P energy: -10.935
tors. eta vs tors. theta energy: -14.292
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: 48
Temperature: 0.950000
Total energy: -203.101129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.101129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.101129 (E_RNA)
where:
Base-Base interactions energy: -139.393
where: short stacking energy: -56.945
Base-Backbone interact. energy: -0.127
local terms energy: -63.581896
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -13.021
flat angles C4'-P-C4' energy: -12.498
flat angles P-C4'-P energy: -8.945
tors. eta vs tors. theta energy: -14.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -175.556243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.556243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.556243 (E_RNA)
where:
Base-Base interactions energy: -99.309
where: short stacking energy: -62.896
Base-Backbone interact. energy: 1.044
local terms energy: -77.292002
where:
bonds (distance) C4'-P energy: -16.436
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -13.476
tors. eta vs tors. theta energy: -17.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -156.604954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.604954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.604954 (E_RNA)
where:
Base-Base interactions energy: -85.055
where: short stacking energy: -49.459
Base-Backbone interact. energy: -0.329
local terms energy: -71.221666
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -12.403
flat angles P-C4'-P energy: -13.733
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: 5, replica: 5
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -161.949437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.949437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.949437 (E_RNA)
where:
Base-Base interactions energy: -100.644
where: short stacking energy: -48.623
Base-Backbone interact. energy: -0.134
local terms energy: -61.171428
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -12.269
flat angles P-C4'-P energy: -11.716
tors. eta vs tors. theta energy: -7.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -106.716629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.716629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.716629 (E_RNA)
where:
Base-Base interactions energy: -40.485
where: short stacking energy: -38.360
Base-Backbone interact. energy: -0.015
local terms energy: -66.217101
where:
bonds (distance) C4'-P energy: -16.574
bonds (distance) P-C4' energy: -17.785
flat angles C4'-P-C4' energy: -11.121
flat angles P-C4'-P energy: -13.254
tors. eta vs tors. theta energy: -7.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -87.693943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.693943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.693943 (E_RNA)
where:
Base-Base interactions energy: -34.798
where: short stacking energy: -26.823
Base-Backbone interact. energy: -0.203
local terms energy: -52.693488
where:
bonds (distance) C4'-P energy: -13.648
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -14.875
flat angles P-C4'-P energy: -3.457
tors. eta vs tors. theta energy: -4.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -86.726553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.726553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.726553 (E_RNA)
where:
Base-Base interactions energy: -39.657
where: short stacking energy: -33.545
Base-Backbone interact. energy: -0.058
local terms energy: -47.012117
where:
bonds (distance) C4'-P energy: -11.362
bonds (distance) P-C4' energy: -12.664
flat angles C4'-P-C4' energy: -7.756
flat angles P-C4'-P energy: -7.788
tors. eta vs tors. theta energy: -7.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -93.899915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.899915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.899915 (E_RNA)
where:
Base-Base interactions energy: -33.992
where: short stacking energy: -33.756
Base-Backbone interact. energy: -0.100
local terms energy: -59.807747
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -12.138
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -7.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -74.046385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.046385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.046385 (E_RNA)
where:
Base-Base interactions energy: -28.854
where: short stacking energy: -28.854
Base-Backbone interact. energy: -0.647
local terms energy: -44.546221
where:
bonds (distance) C4'-P energy: -12.769
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -9.996
flat angles P-C4'-P energy: -4.923
tors. eta vs tors. theta energy: -2.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -190.991229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.991229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.991229 (E_RNA)
where:
Base-Base interactions energy: -110.345
where: short stacking energy: -72.950
Base-Backbone interact. energy: -0.002
local terms energy: -80.643945
where:
bonds (distance) C4'-P energy: -11.753
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -17.918
flat angles P-C4'-P energy: -12.720
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: 2, replica: 2
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -201.519007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.519007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.519007 (E_RNA)
where:
Base-Base interactions energy: -134.759
where: short stacking energy: -59.113
Base-Backbone interact. energy: 0.070
local terms energy: -66.830324
where:
bonds (distance) C4'-P energy: -10.662
bonds (distance) P-C4' energy: -13.160
flat angles C4'-P-C4' energy: -16.480
flat angles P-C4'-P energy: -12.019
tors. eta vs tors. theta energy: -14.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -187.782882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.782882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.782882 (E_RNA)
where:
Base-Base interactions energy: -112.798
where: short stacking energy: -59.920
Base-Backbone interact. energy: 0.292
local terms energy: -75.276249
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -13.064
flat angles P-C4'-P energy: -11.063
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: 4, replica: 5
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -167.901580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.901580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.901580 (E_RNA)
where:
Base-Base interactions energy: -101.576
where: short stacking energy: -53.162
Base-Backbone interact. energy: -0.004
local terms energy: -66.321202
where:
bonds (distance) C4'-P energy: -11.831
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -16.425
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -13.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -155.507946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.507946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.507946 (E_RNA)
where:
Base-Base interactions energy: -98.062
where: short stacking energy: -56.899
Base-Backbone interact. energy: -0.088
local terms energy: -57.358051
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -12.312
flat angles P-C4'-P energy: -5.294
tors. eta vs tors. theta energy: -11.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -125.436346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.436346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.436346 (E_RNA)
where:
Base-Base interactions energy: -71.162
where: short stacking energy: -46.822
Base-Backbone interact. energy: -0.009
local terms energy: -54.265268
where:
bonds (distance) C4'-P energy: -11.251
bonds (distance) P-C4' energy: -12.754
flat angles C4'-P-C4' energy: -11.512
flat angles P-C4'-P energy: -11.074
tors. eta vs tors. theta energy: -7.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -96.316838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.316838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.316838 (E_RNA)
where:
Base-Base interactions energy: -46.675
where: short stacking energy: -39.319
Base-Backbone interact. energy: -0.837
local terms energy: -48.805670
where:
bonds (distance) C4'-P energy: -9.196
bonds (distance) P-C4' energy: -17.616
flat angles C4'-P-C4' energy: -13.114
flat angles P-C4'-P energy: -3.308
tors. eta vs tors. theta energy: -5.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -96.468065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.468065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.468065 (E_RNA)
where:
Base-Base interactions energy: -48.646
where: short stacking energy: -43.675
Base-Backbone interact. energy: -0.239
local terms energy: -47.583434
where:
bonds (distance) C4'-P energy: -12.718
bonds (distance) P-C4' energy: -14.372
flat angles C4'-P-C4' energy: -5.426
flat angles P-C4'-P energy: -9.771
tors. eta vs tors. theta energy: -5.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -80.831033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.831033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.831033 (E_RNA)
where:
Base-Base interactions energy: -36.099
where: short stacking energy: -31.359
Base-Backbone interact. energy: 1.538
local terms energy: -46.270345
where:
bonds (distance) C4'-P energy: -6.440
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -16.872
flat angles P-C4'-P energy: -4.160
tors. eta vs tors. theta energy: -3.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -72.627047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.627047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.627047 (E_RNA)
where:
Base-Base interactions energy: -22.613
where: short stacking energy: -18.021
Base-Backbone interact. energy: -0.049
local terms energy: -49.964552
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -15.996
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -8.001
tors. eta vs tors. theta energy: 2.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -205.964363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.964363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.964363 (E_RNA)
where:
Base-Base interactions energy: -138.215
where: short stacking energy: -54.237
Base-Backbone interact. energy: -0.108
local terms energy: -67.641323
where:
bonds (distance) C4'-P energy: -13.679
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -14.781
flat angles P-C4'-P energy: -8.523
tors. eta vs tors. theta energy: -14.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -178.274660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.274660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.274660 (E_RNA)
where:
Base-Base interactions energy: -106.805
where: short stacking energy: -58.536
Base-Backbone interact. energy: -0.528
local terms energy: -70.941757
where:
bonds (distance) C4'-P energy: -13.824
bonds (distance) P-C4' energy: -16.204
flat angles C4'-P-C4' energy: -14.970
flat angles P-C4'-P energy: -8.357
tors. eta vs tors. theta energy: -17.586
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: 9
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -194.912812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.912812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.912812 (E_RNA)
where:
Base-Base interactions energy: -122.084
where: short stacking energy: -70.403
Base-Backbone interact. energy: -0.256
local terms energy: -72.572621
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -10.436
flat angles C4'-P-C4' energy: -15.854
flat angles P-C4'-P energy: -9.910
tors. eta vs tors. theta energy: -20.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -155.352723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.352723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.352723 (E_RNA)
where:
Base-Base interactions energy: -100.244
where: short stacking energy: -41.001
Base-Backbone interact. energy: -0.101
local terms energy: -55.007782
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -13.929
flat angles C4'-P-C4' energy: -16.114
flat angles P-C4'-P energy: -5.007
tors. eta vs tors. theta energy: -5.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -159.347213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.347213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.347213 (E_RNA)
where:
Base-Base interactions energy: -92.712
where: short stacking energy: -56.766
Base-Backbone interact. energy: -0.061
local terms energy: -66.574429
where:
bonds (distance) C4'-P energy: -16.806
bonds (distance) P-C4' energy: -13.706
flat angles C4'-P-C4' energy: -15.481
flat angles P-C4'-P energy: -7.690
tors. eta vs tors. theta energy: -12.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -100.351472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.351472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.351472 (E_RNA)
where:
Base-Base interactions energy: -38.795
where: short stacking energy: -32.749
Base-Backbone interact. energy: -0.233
local terms energy: -61.323765
where:
bonds (distance) C4'-P energy: -14.516
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -16.269
flat angles P-C4'-P energy: -8.599
tors. eta vs tors. theta energy: -6.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -106.142857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.142857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.142857 (E_RNA)
where:
Base-Base interactions energy: -49.933
where: short stacking energy: -49.933
Base-Backbone interact. energy: -0.007
local terms energy: -56.203122
where:
bonds (distance) C4'-P energy: -9.337
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -8.965
flat angles P-C4'-P energy: -9.247
tors. eta vs tors. theta energy: -11.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -85.337332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.337332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.337332 (E_RNA)
where:
Base-Base interactions energy: -31.930
where: short stacking energy: -31.930
Base-Backbone interact. energy: -0.030
local terms energy: -53.376912
where:
bonds (distance) C4'-P energy: -16.744
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -9.505
flat angles P-C4'-P energy: -7.079
tors. eta vs tors. theta energy: -1.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -78.849373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.849373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.849373 (E_RNA)
where:
Base-Base interactions energy: -36.275
where: short stacking energy: -33.559
Base-Backbone interact. energy: -0.778
local terms energy: -41.796345
where:
bonds (distance) C4'-P energy: -6.671
bonds (distance) P-C4' energy: -10.192
flat angles C4'-P-C4' energy: -6.797
flat angles P-C4'-P energy: -9.481
tors. eta vs tors. theta energy: -8.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -80.644580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.644580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.644580 (E_RNA)
where:
Base-Base interactions energy: -39.463
where: short stacking energy: -22.568
Base-Backbone interact. energy: -0.233
local terms energy: -40.949021
where:
bonds (distance) C4'-P energy: -9.055
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -10.915
flat angles P-C4'-P energy: -5.566
tors. eta vs tors. theta energy: 0.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -212.981470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.981470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.981470 (E_RNA)
where:
Base-Base interactions energy: -140.033
where: short stacking energy: -59.017
Base-Backbone interact. energy: -0.112
local terms energy: -72.835878
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -14.254
flat angles C4'-P-C4' energy: -15.813
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: -16.857
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: 2, replica: 9
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -191.421994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.421994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.421994 (E_RNA)
where:
Base-Base interactions energy: -116.787
where: short stacking energy: -67.022
Base-Backbone interact. energy: -0.539
local terms energy: -74.096185
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -17.248
flat angles C4'-P-C4' energy: -12.724
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: -20.947
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: 4
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -172.492086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.492086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.492086 (E_RNA)
where:
Base-Base interactions energy: -103.905
where: short stacking energy: -57.939
Base-Backbone interact. energy: -0.598
local terms energy: -67.988622
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -16.097
flat angles C4'-P-C4' energy: -15.175
flat angles P-C4'-P energy: -3.835
tors. eta vs tors. theta energy: -17.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -165.954875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.954875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.954875 (E_RNA)
where:
Base-Base interactions energy: -104.776
where: short stacking energy: -47.222
Base-Backbone interact. energy: -0.252
local terms energy: -60.927114
where:
bonds (distance) C4'-P energy: -15.750
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -10.192
flat angles P-C4'-P energy: -8.586
tors. eta vs tors. theta energy: -10.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -145.966529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.966529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.966529 (E_RNA)
where:
Base-Base interactions energy: -84.410
where: short stacking energy: -54.172
Base-Backbone interact. energy: -0.099
local terms energy: -61.456995
where:
bonds (distance) C4'-P energy: -11.841
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -12.319
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -12.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -95.407366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.407366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.407366 (E_RNA)
where:
Base-Base interactions energy: -39.281
where: short stacking energy: -38.335
Base-Backbone interact. energy: -0.000
local terms energy: -56.125669
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -12.764
flat angles P-C4'-P energy: -6.608
tors. eta vs tors. theta energy: -4.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -91.355371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.355371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.355371 (E_RNA)
where:
Base-Base interactions energy: -37.540
where: short stacking energy: -37.147
Base-Backbone interact. energy: -0.001
local terms energy: -53.813526
where:
bonds (distance) C4'-P energy: -16.855
bonds (distance) P-C4' energy: -11.028
flat angles C4'-P-C4' energy: -12.100
flat angles P-C4'-P energy: -10.693
tors. eta vs tors. theta energy: -3.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -93.235054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.235054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.235054 (E_RNA)
where:
Base-Base interactions energy: -39.884
where: short stacking energy: -39.884
Base-Backbone interact. energy: -0.105
local terms energy: -53.246057
where:
bonds (distance) C4'-P energy: -12.754
bonds (distance) P-C4' energy: -13.810
flat angles C4'-P-C4' energy: -10.939
flat angles P-C4'-P energy: -10.246
tors. eta vs tors. theta energy: -5.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -72.952614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.952614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.952614 (E_RNA)
where:
Base-Base interactions energy: -27.033
where: short stacking energy: -20.075
Base-Backbone interact. energy: -0.046
local terms energy: -45.873900
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -12.271
flat angles P-C4'-P energy: -5.200
tors. eta vs tors. theta energy: 2.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -86.214743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.214743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.214743 (E_RNA)
where:
Base-Base interactions energy: -28.601
where: short stacking energy: -28.601
Base-Backbone interact. energy: -0.176
local terms energy: -57.437920
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -12.718
flat angles C4'-P-C4' energy: -14.491
flat angles P-C4'-P energy: -11.850
tors. eta vs tors. theta energy: -3.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -202.258840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.258840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.258840 (E_RNA)
where:
Base-Base interactions energy: -122.229
where: short stacking energy: -71.076
Base-Backbone interact. energy: -0.035
local terms energy: -79.994585
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -15.871
flat angles P-C4'-P energy: -13.491
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: 2
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -208.566728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.566728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.566728 (E_RNA)
where:
Base-Base interactions energy: -135.859
where: short stacking energy: -66.328
Base-Backbone interact. energy: -0.433
local terms energy: -72.274984
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -13.857
flat angles C4'-P-C4' energy: -16.538
flat angles P-C4'-P energy: -6.981
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: 3, replica: 5
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -181.451761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.451761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.451761 (E_RNA)
where:
Base-Base interactions energy: -118.246
where: short stacking energy: -51.193
Base-Backbone interact. energy: -0.566
local terms energy: -62.639773
where:
bonds (distance) C4'-P energy: -16.004
bonds (distance) P-C4' energy: -13.558
flat angles C4'-P-C4' energy: -10.911
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: -11.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -184.044402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.044402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.044402 (E_RNA)
where:
Base-Base interactions energy: -122.167
where: short stacking energy: -64.218
Base-Backbone interact. energy: -0.005
local terms energy: -61.872027
where:
bonds (distance) C4'-P energy: -10.989
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -12.242
flat angles P-C4'-P energy: -7.163
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: 8
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -151.656506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.656506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.656506 (E_RNA)
where:
Base-Base interactions energy: -87.508
where: short stacking energy: -41.548
Base-Backbone interact. energy: 0.092
local terms energy: -64.239807
where:
bonds (distance) C4'-P energy: -10.773
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -13.171
flat angles P-C4'-P energy: -12.255
tors. eta vs tors. theta energy: -10.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -105.281392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.281392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.281392 (E_RNA)
where:
Base-Base interactions energy: -45.905
where: short stacking energy: -31.352
Base-Backbone interact. energy: -0.243
local terms energy: -59.133985
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -11.325
flat angles P-C4'-P energy: -11.714
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: 7, replica: 3
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -88.128409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.128409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.128409 (E_RNA)
where:
Base-Base interactions energy: -31.909
where: short stacking energy: -28.655
Base-Backbone interact. energy: 0.115
local terms energy: -56.333874
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -12.803
flat angles P-C4'-P energy: -5.607
tors. eta vs tors. theta energy: -6.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -86.299320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.299320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.299320 (E_RNA)
where:
Base-Base interactions energy: -33.135
where: short stacking energy: -32.277
Base-Backbone interact. energy: 1.202
local terms energy: -54.365952
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -10.495
flat angles P-C4'-P energy: -11.109
tors. eta vs tors. theta energy: -1.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -82.416632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.416632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.416632 (E_RNA)
where:
Base-Base interactions energy: -37.499
where: short stacking energy: -23.453
Base-Backbone interact. energy: -0.880
local terms energy: -44.038003
where:
bonds (distance) C4'-P energy: -13.777
bonds (distance) P-C4' energy: -9.957
flat angles C4'-P-C4' energy: -12.717
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: 0.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -85.574921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.574921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.574921 (E_RNA)
where:
Base-Base interactions energy: -30.874
where: short stacking energy: -26.217
Base-Backbone interact. energy: -0.261
local terms energy: -54.439570
where:
bonds (distance) C4'-P energy: -11.706
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -12.751
flat angles P-C4'-P energy: -9.445
tors. eta vs tors. theta energy: -4.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -206.940272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.940272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.940272 (E_RNA)
where:
Base-Base interactions energy: -135.132
where: short stacking energy: -68.707
Base-Backbone interact. energy: -0.424
local terms energy: -71.384751
where:
bonds (distance) C4'-P energy: -14.416
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -13.521
flat angles P-C4'-P energy: -9.755
tors. eta vs tors. theta energy: -18.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -178.681262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.681262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.681262 (E_RNA)
where:
Base-Base interactions energy: -111.252
where: short stacking energy: -68.199
Base-Backbone interact. energy: -0.002
local terms energy: -67.427910
where:
bonds (distance) C4'-P energy: -13.280
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -18.787
flat angles P-C4'-P energy: -4.873
tors. eta vs tors. theta energy: -15.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -198.016678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.016678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.016678 (E_RNA)
where:
Base-Base interactions energy: -124.372
where: short stacking energy: -56.594
Base-Backbone interact. energy: -0.006
local terms energy: -73.637774
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -17.623
flat angles C4'-P-C4' energy: -17.776
flat angles P-C4'-P energy: -9.008
tors. eta vs tors. theta energy: -14.102
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: 4
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -166.157933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.157933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.157933 (E_RNA)
where:
Base-Base interactions energy: -96.961
where: short stacking energy: -56.824
Base-Backbone interact. energy: -0.169
local terms energy: -69.028002
where:
bonds (distance) C4'-P energy: -12.413
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -16.131
flat angles P-C4'-P energy: -9.348
tors. eta vs tors. theta energy: -15.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -149.751636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.751636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.751636 (E_RNA)
where:
Base-Base interactions energy: -85.985
where: short stacking energy: -47.388
Base-Backbone interact. energy: -0.343
local terms energy: -63.424005
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -14.076
flat angles P-C4'-P energy: -10.925
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: 6, replica: 3
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -94.336380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.336380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.336380 (E_RNA)
where:
Base-Base interactions energy: -48.470
where: short stacking energy: -25.127
Base-Backbone interact. energy: 1.925
local terms energy: -47.791029
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -7.517
flat angles P-C4'-P energy: -7.238
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: 7, replica: 1
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -87.835448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.835448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.835448 (E_RNA)
where:
Base-Base interactions energy: -31.573
where: short stacking energy: -31.573
Base-Backbone interact. energy: -0.117
local terms energy: -56.144779
where:
bonds (distance) C4'-P energy: -9.078
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -15.790
flat angles P-C4'-P energy: -8.984
tors. eta vs tors. theta energy: -4.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -86.673200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.673200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.673200 (E_RNA)
where:
Base-Base interactions energy: -36.877
where: short stacking energy: -32.801
Base-Backbone interact. energy: -0.766
local terms energy: -49.030790
where:
bonds (distance) C4'-P energy: -7.524
bonds (distance) P-C4' energy: -11.446
flat angles C4'-P-C4' energy: -12.959
flat angles P-C4'-P energy: -9.666
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: 9, replica: 6
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -78.271575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.271575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.271575 (E_RNA)
where:
Base-Base interactions energy: -34.106
where: short stacking energy: -33.479
Base-Backbone interact. energy: -0.201
local terms energy: -43.965488
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -14.308
flat angles C4'-P-C4' energy: -9.580
flat angles P-C4'-P energy: -3.328
tors. eta vs tors. theta energy: -1.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -76.251995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.251995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.251995 (E_RNA)
where:
Base-Base interactions energy: -28.792
where: short stacking energy: -28.792
Base-Backbone interact. energy: 0.450
local terms energy: -47.910173
where:
bonds (distance) C4'-P energy: -10.179
bonds (distance) P-C4' energy: -13.882
flat angles C4'-P-C4' energy: -11.394
flat angles P-C4'-P energy: -10.858
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: 1, replica: 9
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -213.073198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.073198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.073198 (E_RNA)
where:
Base-Base interactions energy: -138.247
where: short stacking energy: -77.393
Base-Backbone interact. energy: -1.526
local terms energy: -73.300558
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -16.449
flat angles P-C4'-P energy: -8.234
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: 2, replica: 5
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -182.820757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.820757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.820757 (E_RNA)
where:
Base-Base interactions energy: -111.036
where: short stacking energy: -54.873
Base-Backbone interact. energy: -0.287
local terms energy: -71.497422
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: -14.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -196.460738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.460738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.460738 (E_RNA)
where:
Base-Base interactions energy: -125.851
where: short stacking energy: -59.596
Base-Backbone interact. energy: -0.172
local terms energy: -70.437976
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -16.971
flat angles P-C4'-P energy: -6.268
tors. eta vs tors. theta energy: -18.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -161.598874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.598874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.598874 (E_RNA)
where:
Base-Base interactions energy: -98.852
where: short stacking energy: -46.451
Base-Backbone interact. energy: -0.452
local terms energy: -62.294581
where:
bonds (distance) C4'-P energy: -17.924
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -10.535
flat angles P-C4'-P energy: -4.881
tors. eta vs tors. theta energy: -14.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -161.270779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.270779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.270779 (E_RNA)
where:
Base-Base interactions energy: -99.730
where: short stacking energy: -58.677
Base-Backbone interact. energy: -0.175
local terms energy: -61.366393
where:
bonds (distance) C4'-P energy: -14.706
bonds (distance) P-C4' energy: -13.878
flat angles C4'-P-C4' energy: -14.697
flat angles P-C4'-P energy: -3.791
tors. eta vs tors. theta energy: -14.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -100.609345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.609345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.609345 (E_RNA)
where:
Base-Base interactions energy: -42.428
where: short stacking energy: -42.428
Base-Backbone interact. energy: -0.080
local terms energy: -58.100936
where:
bonds (distance) C4'-P energy: -11.717
bonds (distance) P-C4' energy: -15.965
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -5.221
tors. eta vs tors. theta energy: -10.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -85.501383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.501383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.501383 (E_RNA)
where:
Base-Base interactions energy: -33.998
where: short stacking energy: -33.973
Base-Backbone interact. energy: 1.860
local terms energy: -53.363505
where:
bonds (distance) C4'-P energy: -8.502
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -12.769
flat angles P-C4'-P energy: -7.969
tors. eta vs tors. theta energy: -7.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -80.018215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.018215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.018215 (E_RNA)
where:
Base-Base interactions energy: -27.578
where: short stacking energy: -22.978
Base-Backbone interact. energy: -0.197
local terms energy: -52.243345
where:
bonds (distance) C4'-P energy: -11.018
bonds (distance) P-C4' energy: -16.571
flat angles C4'-P-C4' energy: -13.830
flat angles P-C4'-P energy: -7.742
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: 9, replica: 10
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -82.032353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.032353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.032353 (E_RNA)
where:
Base-Base interactions energy: -35.534
where: short stacking energy: -35.534
Base-Backbone interact. energy: -0.200
local terms energy: -46.298823
where:
bonds (distance) C4'-P energy: -10.478
bonds (distance) P-C4' energy: -15.114
flat angles C4'-P-C4' energy: -9.016
flat angles P-C4'-P energy: -7.546
tors. eta vs tors. theta energy: -4.146
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: 10, replica: 6
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -84.962632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.962632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.962632 (E_RNA)
where:
Base-Base interactions energy: -42.427
where: short stacking energy: -30.296
Base-Backbone interact. energy: -0.313
local terms energy: -42.221833
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -13.667
flat angles C4'-P-C4' energy: -7.885
flat angles P-C4'-P energy: -7.016
tors. eta vs tors. theta energy: -0.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -195.344883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.344883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.344883 (E_RNA)
where:
Base-Base interactions energy: -119.605
where: short stacking energy: -68.580
Base-Backbone interact. energy: -0.012
local terms energy: -75.728550
where:
bonds (distance) C4'-P energy: -12.187
bonds (distance) P-C4' energy: -17.544
flat angles C4'-P-C4' energy: -15.294
flat angles P-C4'-P energy: -10.872
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: 2, replica: 2
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -200.542788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.542788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.542788 (E_RNA)
where:
Base-Base interactions energy: -130.605
where: short stacking energy: -54.269
Base-Backbone interact. energy: 0.347
local terms energy: -70.285161
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -13.272
flat angles P-C4'-P energy: -10.909
tors. eta vs tors. theta energy: -15.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -184.726559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.726559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.726559 (E_RNA)
where:
Base-Base interactions energy: -115.588
where: short stacking energy: -58.406
Base-Backbone interact. energy: -0.051
local terms energy: -69.087210
where:
bonds (distance) C4'-P energy: -11.317
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -17.187
flat angles P-C4'-P energy: -9.312
tors. eta vs tors. theta energy: -15.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -158.742992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.742992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.742992 (E_RNA)
where:
Base-Base interactions energy: -95.447
where: short stacking energy: -53.404
Base-Backbone interact. energy: -0.113
local terms energy: -63.182581
where:
bonds (distance) C4'-P energy: -11.814
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -14.710
flat angles P-C4'-P energy: -6.198
tors. eta vs tors. theta energy: -15.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -152.803102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.803102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.803102 (E_RNA)
where:
Base-Base interactions energy: -90.090
where: short stacking energy: -51.070
Base-Backbone interact. energy: -0.813
local terms energy: -61.899941
where:
bonds (distance) C4'-P energy: -12.818
bonds (distance) P-C4' energy: -9.219
flat angles C4'-P-C4' energy: -16.836
flat angles P-C4'-P energy: -7.765
tors. eta vs tors. theta energy: -15.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -118.190019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.190019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.190019 (E_RNA)
where:
Base-Base interactions energy: -56.737
where: short stacking energy: -37.635
Base-Backbone interact. energy: -0.633
local terms energy: -60.820198
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -12.749
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -10.925
tors. eta vs tors. theta energy: -8.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -102.659681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.659681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.659681 (E_RNA)
where:
Base-Base interactions energy: -42.728
where: short stacking energy: -42.728
Base-Backbone interact. energy: -1.158
local terms energy: -58.773554
where:
bonds (distance) C4'-P energy: -11.503
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -11.389
flat angles P-C4'-P energy: -8.984
tors. eta vs tors. theta energy: -10.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -83.883904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.883904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.883904 (E_RNA)
where:
Base-Base interactions energy: -40.635
where: short stacking energy: -32.950
Base-Backbone interact. energy: -0.191
local terms energy: -43.058600
where:
bonds (distance) C4'-P energy: -9.868
bonds (distance) P-C4' energy: -8.751
flat angles C4'-P-C4' energy: -11.279
flat angles P-C4'-P energy: -5.786
tors. eta vs tors. theta energy: -7.375
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: 1
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -81.406084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.406084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.406084 (E_RNA)
where:
Base-Base interactions energy: -33.973
where: short stacking energy: -30.997
Base-Backbone interact. energy: -0.102
local terms energy: -47.330933
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -11.394
flat angles C4'-P-C4' energy: -11.051
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -2.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -73.596594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.596594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.596594 (E_RNA)
where:
Base-Base interactions energy: -43.462
where: short stacking energy: -32.250
Base-Backbone interact. energy: 1.102
local terms energy: -31.236982
where:
bonds (distance) C4'-P energy: -9.954
bonds (distance) P-C4' energy: -4.580
flat angles C4'-P-C4' energy: -9.602
flat angles P-C4'-P energy: -7.659
tors. eta vs tors. theta energy: 0.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -199.795638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.795638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.795638 (E_RNA)
where:
Base-Base interactions energy: -125.994
where: short stacking energy: -66.615
Base-Backbone interact. energy: 0.787
local terms energy: -74.589517
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -14.520
flat angles P-C4'-P energy: -11.959
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: 2, replica: 2
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -199.218569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.218569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.218569 (E_RNA)
where:
Base-Base interactions energy: -130.314
where: short stacking energy: -55.518
Base-Backbone interact. energy: -0.010
local terms energy: -68.893702
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -12.308
flat angles C4'-P-C4' energy: -16.376
flat angles P-C4'-P energy: -11.831
tors. eta vs tors. theta energy: -15.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -163.454472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.454472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.454472 (E_RNA)
where:
Base-Base interactions energy: -105.068
where: short stacking energy: -42.746
Base-Backbone interact. energy: -0.155
local terms energy: -58.232414
where:
bonds (distance) C4'-P energy: -11.684
bonds (distance) P-C4' energy: -13.218
flat angles C4'-P-C4' energy: -10.178
flat angles P-C4'-P energy: -10.700
tors. eta vs tors. theta energy: -12.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -153.401213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.401213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.401213 (E_RNA)
where:
Base-Base interactions energy: -85.278
where: short stacking energy: -42.868
Base-Backbone interact. energy: 0.273
local terms energy: -68.395782
where:
bonds (distance) C4'-P energy: -13.112
bonds (distance) P-C4' energy: -14.599
flat angles C4'-P-C4' energy: -14.766
flat angles P-C4'-P energy: -12.761
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: 4
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -171.729773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.729773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.729773 (E_RNA)
where:
Base-Base interactions energy: -99.768
where: short stacking energy: -63.975
Base-Backbone interact. energy: -0.001
local terms energy: -71.960451
where:
bonds (distance) C4'-P energy: -8.941
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -13.693
flat angles P-C4'-P energy: -11.358
tors. eta vs tors. theta energy: -20.856
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: 7
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -97.745379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.745379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.745379 (E_RNA)
where:
Base-Base interactions energy: -50.241
where: short stacking energy: -31.034
Base-Backbone interact. energy: -1.158
local terms energy: -46.345793
where:
bonds (distance) C4'-P energy: -16.135
bonds (distance) P-C4' energy: -7.638
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -7.906
tors. eta vs tors. theta energy: 0.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -95.170143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.170143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.170143 (E_RNA)
where:
Base-Base interactions energy: -43.364
where: short stacking energy: -43.364
Base-Backbone interact. energy: -0.004
local terms energy: -51.802060
where:
bonds (distance) C4'-P energy: -11.449
bonds (distance) P-C4' energy: -12.454
flat angles C4'-P-C4' energy: -10.749
flat angles P-C4'-P energy: -6.183
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: 8, replica: 3
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -88.576750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.576750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.576750 (E_RNA)
where:
Base-Base interactions energy: -38.896
where: short stacking energy: -36.078
Base-Backbone interact. energy: -0.943
local terms energy: -48.737604
where:
bonds (distance) C4'-P energy: -10.242
bonds (distance) P-C4' energy: -16.743
flat angles C4'-P-C4' energy: -11.880
flat angles P-C4'-P energy: -7.512
tors. eta vs tors. theta energy: -2.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -83.622444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.622444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.622444 (E_RNA)
where:
Base-Base interactions energy: -36.786
where: short stacking energy: -36.472
Base-Backbone interact. energy: -0.143
local terms energy: -46.693279
where:
bonds (distance) C4'-P energy: -7.740
bonds (distance) P-C4' energy: -9.732
flat angles C4'-P-C4' energy: -11.404
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -7.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -89.761191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.761191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.761191 (E_RNA)
where:
Base-Base interactions energy: -45.946
where: short stacking energy: -31.805
Base-Backbone interact. energy: -0.018
local terms energy: -43.797204
where:
bonds (distance) C4'-P energy: -10.016
bonds (distance) P-C4' energy: -11.796
flat angles C4'-P-C4' energy: -14.658
flat angles P-C4'-P energy: -3.165
tors. eta vs tors. theta energy: -4.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -204.905930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.905930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.905930 (E_RNA)
where:
Base-Base interactions energy: -131.762
where: short stacking energy: -75.210
Base-Backbone interact. energy: -0.002
local terms energy: -73.142096
where:
bonds (distance) C4'-P energy: -9.893
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -17.101
flat angles P-C4'-P energy: -11.664
tors. eta vs tors. theta energy: -19.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -201.662860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.662860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.662860 (E_RNA)
where:
Base-Base interactions energy: -124.672
where: short stacking energy: -55.356
Base-Backbone interact. energy: -0.689
local terms energy: -76.301903
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -17.266
flat angles C4'-P-C4' energy: -15.435
flat angles P-C4'-P energy: -11.725
tors. eta vs tors. theta energy: -16.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -170.863789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.863789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.863789 (E_RNA)
where:
Base-Base interactions energy: -107.066
where: short stacking energy: -55.571
Base-Backbone interact. energy: -0.027
local terms energy: -63.771131
where:
bonds (distance) C4'-P energy: -10.830
bonds (distance) P-C4' energy: -13.928
flat angles C4'-P-C4' energy: -15.166
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -11.919
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: 57
Temperature: 1.050000
Total energy: -151.895754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.895754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.895754 (E_RNA)
where:
Base-Base interactions energy: -89.581
where: short stacking energy: -45.948
Base-Backbone interact. energy: -0.125
local terms energy: -62.189525
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -13.877
flat angles C4'-P-C4' energy: -11.626
flat angles P-C4'-P energy: -13.103
tors. eta vs tors. theta energy: -10.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -157.466496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.466496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.466496 (E_RNA)
where:
Base-Base interactions energy: -96.656
where: short stacking energy: -42.119
Base-Backbone interact. energy: 0.110
local terms energy: -60.920170
where:
bonds (distance) C4'-P energy: -10.902
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -14.474
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -8.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -106.448786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.448786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.448786 (E_RNA)
where:
Base-Base interactions energy: -57.940
where: short stacking energy: -49.349
Base-Backbone interact. energy: -0.160
local terms energy: -48.348417
where:
bonds (distance) C4'-P energy: -10.861
bonds (distance) P-C4' energy: -13.450
flat angles C4'-P-C4' energy: -11.613
flat angles P-C4'-P energy: -8.364
tors. eta vs tors. theta energy: -4.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -100.261947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.261947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.261947 (E_RNA)
where:
Base-Base interactions energy: -51.682
where: short stacking energy: -29.463
Base-Backbone interact. energy: -1.151
local terms energy: -47.428671
where:
bonds (distance) C4'-P energy: -17.281
bonds (distance) P-C4' energy: -9.710
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -8.257
tors. eta vs tors. theta energy: 1.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -83.854379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.854379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.854379 (E_RNA)
where:
Base-Base interactions energy: -37.505
where: short stacking energy: -37.425
Base-Backbone interact. energy: -0.115
local terms energy: -46.233457
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -8.359
flat angles C4'-P-C4' energy: -12.292
flat angles P-C4'-P energy: -5.828
tors. eta vs tors. theta energy: -5.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -79.786296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.786296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.786296 (E_RNA)
where:
Base-Base interactions energy: -32.764
where: short stacking energy: -31.150
Base-Backbone interact. energy: 2.373
local terms energy: -49.395674
where:
bonds (distance) C4'-P energy: -12.000
bonds (distance) P-C4' energy: -16.042
flat angles C4'-P-C4' energy: -11.586
flat angles P-C4'-P energy: -8.354
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: 10, replica: 1
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -81.901442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.901442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.901442 (E_RNA)
where:
Base-Base interactions energy: -48.958
where: short stacking energy: -38.451
Base-Backbone interact. energy: 4.732
local terms energy: -37.675827
where:
bonds (distance) C4'-P energy: -9.438
bonds (distance) P-C4' energy: -7.501
flat angles C4'-P-C4' energy: -11.080
flat angles P-C4'-P energy: -6.315
tors. eta vs tors. theta energy: -3.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -212.548213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.548213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.548213 (E_RNA)
where:
Base-Base interactions energy: -149.778
where: short stacking energy: -59.783
Base-Backbone interact. energy: -0.034
local terms energy: -62.736467
where:
bonds (distance) C4'-P energy: -13.456
bonds (distance) P-C4' energy: -12.090
flat angles C4'-P-C4' energy: -14.331
flat angles P-C4'-P energy: -6.498
tors. eta vs tors. theta energy: -16.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -196.168545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.168545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.168545 (E_RNA)
where:
Base-Base interactions energy: -118.511
where: short stacking energy: -68.947
Base-Backbone interact. energy: -0.406
local terms energy: -77.251537
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -14.076
flat angles P-C4'-P energy: -13.235
tors. eta vs tors. theta energy: -20.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -165.865348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.865348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.865348 (E_RNA)
where:
Base-Base interactions energy: -98.647
where: short stacking energy: -58.543
Base-Backbone interact. energy: 0.146
local terms energy: -67.363994
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -13.924
flat angles P-C4'-P energy: -12.869
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: 4, replica: 5
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -179.754043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.754043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.754043 (E_RNA)
where:
Base-Base interactions energy: -110.618
where: short stacking energy: -53.721
Base-Backbone interact. energy: -0.220
local terms energy: -68.916240
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -13.154
flat angles C4'-P-C4' energy: -13.385
flat angles P-C4'-P energy: -8.525
tors. eta vs tors. theta energy: -17.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -99.378780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.378780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.378780 (E_RNA)
where:
Base-Base interactions energy: -40.159
where: short stacking energy: -28.073
Base-Backbone interact. energy: -0.755
local terms energy: -58.464436
where:
bonds (distance) C4'-P energy: -12.880
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -16.881
flat angles P-C4'-P energy: -6.740
tors. eta vs tors. theta energy: -5.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -139.457087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.457087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.457087 (E_RNA)
where:
Base-Base interactions energy: -78.145
where: short stacking energy: -46.812
Base-Backbone interact. energy: -0.005
local terms energy: -61.306579
where:
bonds (distance) C4'-P energy: -12.617
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -14.656
flat angles P-C4'-P energy: -10.011
tors. eta vs tors. theta energy: -8.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -98.919892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.919892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.919892 (E_RNA)
where:
Base-Base interactions energy: -39.536
where: short stacking energy: -39.388
Base-Backbone interact. energy: 0.236
local terms energy: -59.620157
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -15.031
flat angles C4'-P-C4' energy: -15.061
flat angles P-C4'-P energy: -10.140
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: 8, replica: 7
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -106.414741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.414741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.414741 (E_RNA)
where:
Base-Base interactions energy: -54.278
where: short stacking energy: -35.699
Base-Backbone interact. energy: 0.894
local terms energy: -53.030427
where:
bonds (distance) C4'-P energy: -13.052
bonds (distance) P-C4' energy: -13.111
flat angles C4'-P-C4' energy: -12.558
flat angles P-C4'-P energy: -4.984
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: 9, replica: 3
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -81.999830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.999830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.999830 (E_RNA)
where:
Base-Base interactions energy: -28.059
where: short stacking energy: -26.879
Base-Backbone interact. energy: -0.131
local terms energy: -53.809228
where:
bonds (distance) C4'-P energy: -12.628
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -11.048
flat angles P-C4'-P energy: -9.086
tors. eta vs tors. theta energy: -4.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -73.608606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.608606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.608606 (E_RNA)
where:
Base-Base interactions energy: -27.855
where: short stacking energy: -15.962
Base-Backbone interact. energy: -0.226
local terms energy: -45.527479
where:
bonds (distance) C4'-P energy: -13.404
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -12.494
flat angles P-C4'-P energy: -6.271
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: 1, replica: 2
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -219.686600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.686600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.686600 (E_RNA)
where:
Base-Base interactions energy: -142.229
where: short stacking energy: -70.650
Base-Backbone interact. energy: -0.104
local terms energy: -77.353812
where:
bonds (distance) C4'-P energy: -13.023
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -17.609
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -19.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -193.642210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.642210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.642210 (E_RNA)
where:
Base-Base interactions energy: -121.144
where: short stacking energy: -66.779
Base-Backbone interact. energy: -0.595
local terms energy: -71.903096
where:
bonds (distance) C4'-P energy: -11.012
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -17.822
flat angles P-C4'-P energy: -7.999
tors. eta vs tors. theta energy: -18.115
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: 4
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -172.579582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.579582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.579582 (E_RNA)
where:
Base-Base interactions energy: -99.830
where: short stacking energy: -54.506
Base-Backbone interact. energy: -0.030
local terms energy: -72.719591
where:
bonds (distance) C4'-P energy: -11.439
bonds (distance) P-C4' energy: -16.966
flat angles C4'-P-C4' energy: -16.533
flat angles P-C4'-P energy: -10.545
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: 4, replica: 5
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -177.778831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.778831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.778831 (E_RNA)
where:
Base-Base interactions energy: -116.108
where: short stacking energy: -56.274
Base-Backbone interact. energy: -0.032
local terms energy: -61.639033
where:
bonds (distance) C4'-P energy: -9.553
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -14.938
flat angles P-C4'-P energy: -4.238
tors. eta vs tors. theta energy: -17.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -121.507519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.507519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.507519 (E_RNA)
where:
Base-Base interactions energy: -63.739
where: short stacking energy: -49.479
Base-Backbone interact. energy: -0.045
local terms energy: -57.723702
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -13.533
flat angles C4'-P-C4' energy: -13.914
flat angles P-C4'-P energy: -9.048
tors. eta vs tors. theta energy: -7.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -148.093452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.093452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.093452 (E_RNA)
where:
Base-Base interactions energy: -87.195
where: short stacking energy: -52.801
Base-Backbone interact. energy: 0.128
local terms energy: -61.026186
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -9.695
flat angles C4'-P-C4' energy: -15.216
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -11.662
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: 6
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -125.192767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.192767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.192767 (E_RNA)
where:
Base-Base interactions energy: -73.494
where: short stacking energy: -30.145
Base-Backbone interact. energy: -0.754
local terms energy: -50.944780
where:
bonds (distance) C4'-P energy: -9.019
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -14.652
flat angles P-C4'-P energy: -8.185
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: 8, replica: 3
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -87.850733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.850733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.850733 (E_RNA)
where:
Base-Base interactions energy: -39.795
where: short stacking energy: -39.766
Base-Backbone interact. energy: -0.157
local terms energy: -47.898547
where:
bonds (distance) C4'-P energy: -11.503
bonds (distance) P-C4' energy: -11.440
flat angles C4'-P-C4' energy: -9.158
flat angles P-C4'-P energy: -10.565
tors. eta vs tors. theta energy: -5.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -75.537674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.537674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.537674 (E_RNA)
where:
Base-Base interactions energy: -27.915
where: short stacking energy: -27.915
Base-Backbone interact. energy: -0.101
local terms energy: -47.522108
where:
bonds (distance) C4'-P energy: -11.449
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -7.520
flat angles P-C4'-P energy: -8.691
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: 10, replica: 1
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -80.722464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.722464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.722464 (E_RNA)
where:
Base-Base interactions energy: -30.556
where: short stacking energy: -27.231
Base-Backbone interact. energy: 1.388
local terms energy: -51.554137
where:
bonds (distance) C4'-P energy: -12.677
bonds (distance) P-C4' energy: -16.502
flat angles C4'-P-C4' energy: -11.588
flat angles P-C4'-P energy: -5.200
tors. eta vs tors. theta energy: -5.587
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: 1, replica: 2
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -210.870779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.870779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.870779 (E_RNA)
where:
Base-Base interactions energy: -138.871
where: short stacking energy: -65.158
Base-Backbone interact. energy: -0.442
local terms energy: -71.557064
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -14.830
flat angles P-C4'-P energy: -10.323
tors. eta vs tors. theta energy: -17.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -188.953902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.953902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.953902 (E_RNA)
where:
Base-Base interactions energy: -113.151
where: short stacking energy: -60.274
Base-Backbone interact. energy: -0.038
local terms energy: -75.764452
where:
bonds (distance) C4'-P energy: -16.528
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -13.100
flat angles P-C4'-P energy: -12.147
tors. eta vs tors. theta energy: -18.653
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: 4
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -176.247649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.247649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.247649 (E_RNA)
where:
Base-Base interactions energy: -102.211
where: short stacking energy: -59.796
Base-Backbone interact. energy: -1.588
local terms energy: -72.448459
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -15.349
flat angles C4'-P-C4' energy: -12.763
flat angles P-C4'-P energy: -11.292
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: 4, replica: 5
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -159.603520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.603520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.603520 (E_RNA)
where:
Base-Base interactions energy: -95.056
where: short stacking energy: -56.614
Base-Backbone interact. energy: -0.533
local terms energy: -64.014758
where:
bonds (distance) C4'-P energy: -7.653
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -16.837
flat angles P-C4'-P energy: -8.653
tors. eta vs tors. theta energy: -15.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -160.606713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.606713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.606713 (E_RNA)
where:
Base-Base interactions energy: -102.212
where: short stacking energy: -56.185
Base-Backbone interact. energy: -0.024
local terms energy: -58.369835
where:
bonds (distance) C4'-P energy: -10.981
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -13.844
flat angles P-C4'-P energy: -5.274
tors. eta vs tors. theta energy: -13.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -95.014272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.014272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.014272 (E_RNA)
where:
Base-Base interactions energy: -45.220
where: short stacking energy: -30.269
Base-Backbone interact. energy: 0.302
local terms energy: -50.095980
where:
bonds (distance) C4'-P energy: -10.481
bonds (distance) P-C4' energy: -15.584
flat angles C4'-P-C4' energy: -13.235
flat angles P-C4'-P energy: -7.911
tors. eta vs tors. theta energy: -2.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -112.947480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.947480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.947480 (E_RNA)
where:
Base-Base interactions energy: -61.302
where: short stacking energy: -26.597
Base-Backbone interact. energy: -0.345
local terms energy: -51.300691
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -14.104
flat angles C4'-P-C4' energy: -14.090
flat angles P-C4'-P energy: -6.585
tors. eta vs tors. theta energy: -2.883
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: 3
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -81.464240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.464240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.464240 (E_RNA)
where:
Base-Base interactions energy: -31.203
where: short stacking energy: -31.203
Base-Backbone interact. energy: -0.121
local terms energy: -50.140058
where:
bonds (distance) C4'-P energy: -10.873
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -11.811
flat angles P-C4'-P energy: -8.991
tors. eta vs tors. theta energy: -2.197
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: 1
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -81.778281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.778281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.778281 (E_RNA)
where:
Base-Base interactions energy: -37.681
where: short stacking energy: -31.499
Base-Backbone interact. energy: -0.224
local terms energy: -43.873014
where:
bonds (distance) C4'-P energy: -14.075
bonds (distance) P-C4' energy: -10.194
flat angles C4'-P-C4' energy: -11.054
flat angles P-C4'-P energy: -3.463
tors. eta vs tors. theta energy: -5.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -76.339102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.339102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.339102 (E_RNA)
where:
Base-Base interactions energy: -33.110
where: short stacking energy: -33.110
Base-Backbone interact. energy: -0.015
local terms energy: -43.214012
where:
bonds (distance) C4'-P energy: -11.068
bonds (distance) P-C4' energy: -10.195
flat angles C4'-P-C4' energy: -12.601
flat angles P-C4'-P energy: -6.852
tors. eta vs tors. theta energy: -2.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -196.151169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.151169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.151169 (E_RNA)
where:
Base-Base interactions energy: -127.331
where: short stacking energy: -57.564
Base-Backbone interact. energy: -0.692
local terms energy: -68.128740
where:
bonds (distance) C4'-P energy: -16.457
bonds (distance) P-C4' energy: -12.854
flat angles C4'-P-C4' energy: -16.779
flat angles P-C4'-P energy: -8.615
tors. eta vs tors. theta energy: -13.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -174.921738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.921738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.921738 (E_RNA)
where:
Base-Base interactions energy: -106.277
where: short stacking energy: -58.799
Base-Backbone interact. energy: -0.003
local terms energy: -68.641627
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -17.711
flat angles C4'-P-C4' energy: -15.347
flat angles P-C4'-P energy: -9.845
tors. eta vs tors. theta energy: -12.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -174.590071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.590071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.590071 (E_RNA)
where:
Base-Base interactions energy: -109.448
where: short stacking energy: -56.484
Base-Backbone interact. energy: -0.549
local terms energy: -64.593167
where:
bonds (distance) C4'-P energy: -14.856
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -16.006
flat angles P-C4'-P energy: -5.036
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: 4, replica: 8
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -176.648513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.648513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.648513 (E_RNA)
where:
Base-Base interactions energy: -101.178
where: short stacking energy: -56.960
Base-Backbone interact. energy: -1.358
local terms energy: -74.112336
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -14.266
flat angles C4'-P-C4' energy: -16.151
flat angles P-C4'-P energy: -12.355
tors. eta vs tors. theta energy: -17.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -156.484659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.484659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.484659 (E_RNA)
where:
Base-Base interactions energy: -93.765
where: short stacking energy: -53.241
Base-Backbone interact. energy: -0.296
local terms energy: -62.424031
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -14.241
flat angles P-C4'-P energy: -9.389
tors. eta vs tors. theta energy: -10.449
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: 6, replica: 6
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -111.034480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.034480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.034480 (E_RNA)
where:
Base-Base interactions energy: -56.625
where: short stacking energy: -38.327
Base-Backbone interact. energy: -0.224
local terms energy: -54.186280
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -13.533
flat angles C4'-P-C4' energy: -12.603
flat angles P-C4'-P energy: -4.179
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: 7, replica: 10
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -100.096820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.096820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.096820 (E_RNA)
where:
Base-Base interactions energy: -39.377
where: short stacking energy: -35.085
Base-Backbone interact. energy: -2.843
local terms energy: -57.877247
where:
bonds (distance) C4'-P energy: -13.557
bonds (distance) P-C4' energy: -16.280
flat angles C4'-P-C4' energy: -14.374
flat angles P-C4'-P energy: -7.032
tors. eta vs tors. theta energy: -6.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -89.482686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.482686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.482686 (E_RNA)
where:
Base-Base interactions energy: -41.910
where: short stacking energy: -24.490
Base-Backbone interact. energy: -0.107
local terms energy: -47.465119
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -11.607
flat angles P-C4'-P energy: -5.534
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: 9, replica: 3
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -93.779515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.779515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.779515 (E_RNA)
where:
Base-Base interactions energy: -35.912
where: short stacking energy: -33.928
Base-Backbone interact. energy: -0.060
local terms energy: -57.808028
where:
bonds (distance) C4'-P energy: -14.159
bonds (distance) P-C4' energy: -12.276
flat angles C4'-P-C4' energy: -16.559
flat angles P-C4'-P energy: -8.836
tors. eta vs tors. theta energy: -5.979
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: 7
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -80.746470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.746470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.746470 (E_RNA)
where:
Base-Base interactions energy: -31.209
where: short stacking energy: -26.603
Base-Backbone interact. energy: -0.726
local terms energy: -48.811076
where:
bonds (distance) C4'-P energy: -6.696
bonds (distance) P-C4' energy: -16.054
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -9.061
tors. eta vs tors. theta energy: -1.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -210.721012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.721012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.721012 (E_RNA)
where:
Base-Base interactions energy: -136.765
where: short stacking energy: -69.887
Base-Backbone interact. energy: -0.099
local terms energy: -73.857596
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -17.771
flat angles C4'-P-C4' energy: -14.629
flat angles P-C4'-P energy: -8.632
tors. eta vs tors. theta energy: -18.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -176.890541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.890541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.890541 (E_RNA)
where:
Base-Base interactions energy: -109.013
where: short stacking energy: -55.759
Base-Backbone interact. energy: 0.590
local terms energy: -68.466979
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -16.991
flat angles P-C4'-P energy: -8.593
tors. eta vs tors. theta energy: -12.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -180.288909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.288909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.288909 (E_RNA)
where:
Base-Base interactions energy: -115.021
where: short stacking energy: -51.884
Base-Backbone interact. energy: -0.229
local terms energy: -65.039256
where:
bonds (distance) C4'-P energy: -16.101
bonds (distance) P-C4' energy: -16.433
flat angles C4'-P-C4' energy: -11.051
flat angles P-C4'-P energy: -10.179
tors. eta vs tors. theta energy: -11.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -161.751114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.751114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.751114 (E_RNA)
where:
Base-Base interactions energy: -94.995
where: short stacking energy: -53.819
Base-Backbone interact. energy: -0.188
local terms energy: -66.567373
where:
bonds (distance) C4'-P energy: -15.909
bonds (distance) P-C4' energy: -16.954
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -9.103
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: 5, replica: 5
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -156.582972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.582972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.582972 (E_RNA)
where:
Base-Base interactions energy: -87.609
where: short stacking energy: -52.188
Base-Backbone interact. energy: -0.225
local terms energy: -68.748476
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -17.971
flat angles C4'-P-C4' energy: -16.640
flat angles P-C4'-P energy: -7.625
tors. eta vs tors. theta energy: -12.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -110.563528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.563528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.563528 (E_RNA)
where:
Base-Base interactions energy: -54.362
where: short stacking energy: -45.712
Base-Backbone interact. energy: -0.310
local terms energy: -55.891204
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -13.234
flat angles C4'-P-C4' energy: -12.740
flat angles P-C4'-P energy: -8.769
tors. eta vs tors. theta energy: -7.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -95.321590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.321590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.321590 (E_RNA)
where:
Base-Base interactions energy: -38.706
where: short stacking energy: -38.706
Base-Backbone interact. energy: -0.101
local terms energy: -56.514430
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -7.343
flat angles P-C4'-P energy: -9.171
tors. eta vs tors. theta energy: -8.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -86.901354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.901354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.901354 (E_RNA)
where:
Base-Base interactions energy: -43.985
where: short stacking energy: -39.213
Base-Backbone interact. energy: -0.650
local terms energy: -42.266280
where:
bonds (distance) C4'-P energy: -10.108
bonds (distance) P-C4' energy: -8.948
flat angles C4'-P-C4' energy: -9.921
flat angles P-C4'-P energy: -6.760
tors. eta vs tors. theta energy: -6.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -72.734251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.734251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.734251 (E_RNA)
where:
Base-Base interactions energy: -24.825
where: short stacking energy: -23.379
Base-Backbone interact. energy: -0.322
local terms energy: -47.587575
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -10.215
flat angles P-C4'-P energy: -5.172
tors. eta vs tors. theta energy: -1.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -71.764952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.764952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.764952 (E_RNA)
where:
Base-Base interactions energy: -24.446
where: short stacking energy: -20.730
Base-Backbone interact. energy: -0.178
local terms energy: -47.140750
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -14.479
flat angles C4'-P-C4' energy: -10.241
flat angles P-C4'-P energy: -5.450
tors. eta vs tors. theta energy: -2.856
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: 2
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -214.839764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.839764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.839764 (E_RNA)
where:
Base-Base interactions energy: -144.256
where: short stacking energy: -68.088
Base-Backbone interact. energy: -0.437
local terms energy: -70.146730
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -13.889
flat angles C4'-P-C4' energy: -12.920
flat angles P-C4'-P energy: -9.358
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: 2, replica: 4
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -173.195537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.195537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.195537 (E_RNA)
where:
Base-Base interactions energy: -99.140
where: short stacking energy: -62.601
Base-Backbone interact. energy: -2.482
local terms energy: -71.573752
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -13.834
flat angles C4'-P-C4' energy: -15.746
flat angles P-C4'-P energy: -10.417
tors. eta vs tors. theta energy: -16.286
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: 9
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -182.946010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.946010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.946010 (E_RNA)
where:
Base-Base interactions energy: -120.842
where: short stacking energy: -54.500
Base-Backbone interact. energy: -0.057
local terms energy: -62.047248
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -15.270
flat angles P-C4'-P energy: -5.900
tors. eta vs tors. theta energy: -11.651
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: 63
Temperature: 1.050000
Total energy: -179.515656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.515656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.515656 (E_RNA)
where:
Base-Base interactions energy: -110.704
where: short stacking energy: -67.837
Base-Backbone interact. energy: -0.221
local terms energy: -68.590691
where:
bonds (distance) C4'-P energy: -13.274
bonds (distance) P-C4' energy: -12.142
flat angles C4'-P-C4' energy: -16.177
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: -17.250
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: 8
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -159.263171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.263171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.263171 (E_RNA)
where:
Base-Base interactions energy: -94.281
where: short stacking energy: -52.551
Base-Backbone interact. energy: -0.252
local terms energy: -64.729602
where:
bonds (distance) C4'-P energy: -15.625
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -7.075
tors. eta vs tors. theta energy: -10.036
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: 6, replica: 6
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -101.980410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.980410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.980410 (E_RNA)
where:
Base-Base interactions energy: -44.986
where: short stacking energy: -32.026
Base-Backbone interact. energy: -0.841
local terms energy: -56.153027
where:
bonds (distance) C4'-P energy: -11.999
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -12.943
flat angles P-C4'-P energy: -9.966
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: 7, replica: 1
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -89.090589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.090589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.090589 (E_RNA)
where:
Base-Base interactions energy: -36.811
where: short stacking energy: -36.568
Base-Backbone interact. energy: -0.410
local terms energy: -51.869983
where:
bonds (distance) C4'-P energy: -9.982
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -15.130
flat angles P-C4'-P energy: -7.088
tors. eta vs tors. theta energy: -5.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -86.886941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.886941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.886941 (E_RNA)
where:
Base-Base interactions energy: -31.117
where: short stacking energy: -25.698
Base-Backbone interact. energy: 0.048
local terms energy: -55.817849
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -13.483
flat angles P-C4'-P energy: -9.547
tors. eta vs tors. theta energy: -2.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -96.834011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.834011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.834011 (E_RNA)
where:
Base-Base interactions energy: -47.629
where: short stacking energy: -28.653
Base-Backbone interact. energy: -0.268
local terms energy: -48.937049
where:
bonds (distance) C4'-P energy: -11.200
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -11.043
flat angles P-C4'-P energy: -7.810
tors. eta vs tors. theta energy: -3.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -73.300754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.300754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.300754 (E_RNA)
where:
Base-Base interactions energy: -24.759
where: short stacking energy: -24.759
Base-Backbone interact. energy: -0.112
local terms energy: -48.430689
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -11.170
flat angles C4'-P-C4' energy: -12.374
flat angles P-C4'-P energy: -7.853
tors. eta vs tors. theta energy: -0.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -207.861030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.861030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.861030 (E_RNA)
where:
Base-Base interactions energy: -137.884
where: short stacking energy: -63.207
Base-Backbone interact. energy: -0.124
local terms energy: -69.853186
where:
bonds (distance) C4'-P energy: -16.642
bonds (distance) P-C4' energy: -13.521
flat angles C4'-P-C4' energy: -13.152
flat angles P-C4'-P energy: -11.097
tors. eta vs tors. theta energy: -15.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -178.791879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.791879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.791879 (E_RNA)
where:
Base-Base interactions energy: -105.173
where: short stacking energy: -54.888
Base-Backbone interact. energy: -0.081
local terms energy: -73.538475
where:
bonds (distance) C4'-P energy: -11.661
bonds (distance) P-C4' energy: -16.491
flat angles C4'-P-C4' energy: -16.159
flat angles P-C4'-P energy: -13.655
tors. eta vs tors. theta energy: -15.573
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: 5
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -187.037817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.037817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.037817 (E_RNA)
where:
Base-Base interactions energy: -122.496
where: short stacking energy: -63.930
Base-Backbone interact. energy: -0.027
local terms energy: -64.515673
where:
bonds (distance) C4'-P energy: -11.577
bonds (distance) P-C4' energy: -13.853
flat angles C4'-P-C4' energy: -13.416
flat angles P-C4'-P energy: -12.097
tors. eta vs tors. theta energy: -13.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -183.787071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.787071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.787071 (E_RNA)
where:
Base-Base interactions energy: -113.446
where: short stacking energy: -67.100
Base-Backbone interact. energy: -0.011
local terms energy: -70.330100
where:
bonds (distance) C4'-P energy: -11.723
bonds (distance) P-C4' energy: -12.815
flat angles C4'-P-C4' energy: -11.631
flat angles P-C4'-P energy: -13.052
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: 5, replica: 8
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -151.247156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.247156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.247156 (E_RNA)
where:
Base-Base interactions energy: -81.708
where: short stacking energy: -42.942
Base-Backbone interact. energy: -1.808
local terms energy: -67.731607
where:
bonds (distance) C4'-P energy: -15.095
bonds (distance) P-C4' energy: -11.717
flat angles C4'-P-C4' energy: -14.719
flat angles P-C4'-P energy: -11.257
tors. eta vs tors. theta energy: -14.944
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: 6
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -88.735351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.735351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.735351 (E_RNA)
where:
Base-Base interactions energy: -34.435
where: short stacking energy: -34.435
Base-Backbone interact. energy: 0.187
local terms energy: -54.487223
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -13.902
flat angles C4'-P-C4' energy: -13.341
flat angles P-C4'-P energy: -7.144
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: 7, replica: 1
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -97.780407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.780407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.780407 (E_RNA)
where:
Base-Base interactions energy: -34.268
where: short stacking energy: -33.485
Base-Backbone interact. energy: -0.065
local terms energy: -63.447889
where:
bonds (distance) C4'-P energy: -13.640
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -15.211
flat angles P-C4'-P energy: -8.275
tors. eta vs tors. theta energy: -8.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -87.742893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.742893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.742893 (E_RNA)
where:
Base-Base interactions energy: -27.146
where: short stacking energy: -26.629
Base-Backbone interact. energy: -0.061
local terms energy: -60.535901
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -12.610
flat angles P-C4'-P energy: -11.806
tors. eta vs tors. theta energy: -4.988
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: 10
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -83.717570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.717570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.717570 (E_RNA)
where:
Base-Base interactions energy: -41.528
where: short stacking energy: -36.087
Base-Backbone interact. energy: 3.113
local terms energy: -45.302351
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -10.038
flat angles C4'-P-C4' energy: -13.346
flat angles P-C4'-P energy: -4.800
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: 3
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -83.970301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.970301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.970301 (E_RNA)
where:
Base-Base interactions energy: -38.850
where: short stacking energy: -28.763
Base-Backbone interact. energy: -0.213
local terms energy: -44.907577
where:
bonds (distance) C4'-P energy: -11.537
bonds (distance) P-C4' energy: -10.270
flat angles C4'-P-C4' energy: -13.295
flat angles P-C4'-P energy: -10.569
tors. eta vs tors. theta energy: 0.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -212.413458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.413458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.413458 (E_RNA)
where:
Base-Base interactions energy: -134.392
where: short stacking energy: -70.378
Base-Backbone interact. energy: -0.027
local terms energy: -77.994499
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -12.838
flat angles C4'-P-C4' energy: -17.136
flat angles P-C4'-P energy: -12.339
tors. eta vs tors. theta energy: -19.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -197.046100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.046100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.046100 (E_RNA)
where:
Base-Base interactions energy: -125.272
where: short stacking energy: -61.530
Base-Backbone interact. energy: -1.217
local terms energy: -70.556862
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -9.693
flat angles C4'-P-C4' energy: -16.172
flat angles P-C4'-P energy: -12.584
tors. eta vs tors. theta energy: -16.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -169.255149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.255149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.255149 (E_RNA)
where:
Base-Base interactions energy: -100.904
where: short stacking energy: -58.433
Base-Backbone interact. energy: -0.293
local terms energy: -68.057726
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -14.771
flat angles C4'-P-C4' energy: -15.956
flat angles P-C4'-P energy: -12.855
tors. eta vs tors. theta energy: -12.359
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: 4, replica: 8
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -166.799347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.799347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.799347 (E_RNA)
where:
Base-Base interactions energy: -96.093
where: short stacking energy: -52.055
Base-Backbone interact. energy: -1.666
local terms energy: -69.040246
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -17.688
flat angles P-C4'-P energy: -12.252
tors. eta vs tors. theta energy: -7.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -168.176709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.176709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.176709 (E_RNA)
where:
Base-Base interactions energy: -97.501
where: short stacking energy: -51.721
Base-Backbone interact. energy: -1.342
local terms energy: -69.334066
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -16.463
flat angles C4'-P-C4' energy: -16.288
flat angles P-C4'-P energy: -10.308
tors. eta vs tors. theta energy: -12.507
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: 6, replica: 1
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -94.806092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.806092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.806092 (E_RNA)
where:
Base-Base interactions energy: -41.693
where: short stacking energy: -39.148
Base-Backbone interact. energy: 1.732
local terms energy: -54.845386
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -16.349
flat angles C4'-P-C4' energy: -13.418
flat angles P-C4'-P energy: -3.215
tors. eta vs tors. theta energy: -5.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -94.897439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.897439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.897439 (E_RNA)
where:
Base-Base interactions energy: -41.857
where: short stacking energy: -37.346
Base-Backbone interact. energy: -0.034
local terms energy: -53.005922
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -13.864
flat angles C4'-P-C4' energy: -8.840
flat angles P-C4'-P energy: -9.109
tors. eta vs tors. theta energy: -8.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -84.418963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.418963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.418963 (E_RNA)
where:
Base-Base interactions energy: -39.156
where: short stacking energy: -29.748
Base-Backbone interact. energy: 1.589
local terms energy: -46.851401
where:
bonds (distance) C4'-P energy: -14.632
bonds (distance) P-C4' energy: -12.331
flat angles C4'-P-C4' energy: -14.297
flat angles P-C4'-P energy: -6.488
tors. eta vs tors. theta energy: 0.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -89.402994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.402994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.402994 (E_RNA)
where:
Base-Base interactions energy: -46.857
where: short stacking energy: -28.049
Base-Backbone interact. energy: -0.171
local terms energy: -42.375764
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -10.977
flat angles C4'-P-C4' energy: -12.673
flat angles P-C4'-P energy: -7.235
tors. eta vs tors. theta energy: 2.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -81.141647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.141647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.141647 (E_RNA)
where:
Base-Base interactions energy: -31.585
where: short stacking energy: -27.186
Base-Backbone interact. energy: -0.152
local terms energy: -49.405174
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -15.267
flat angles C4'-P-C4' energy: -14.275
flat angles P-C4'-P energy: -7.255
tors. eta vs tors. theta energy: 0.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -206.991060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.991060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.991060 (E_RNA)
where:
Base-Base interactions energy: -135.773
where: short stacking energy: -66.524
Base-Backbone interact. energy: -0.232
local terms energy: -70.986606
where:
bonds (distance) C4'-P energy: -11.234
bonds (distance) P-C4' energy: -14.439
flat angles C4'-P-C4' energy: -16.892
flat angles P-C4'-P energy: -7.938
tors. eta vs tors. theta energy: -20.484
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: 5
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -197.853683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.853683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.853683 (E_RNA)
where:
Base-Base interactions energy: -129.909
where: short stacking energy: -58.415
Base-Backbone interact. energy: -0.035
local terms energy: -67.909469
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -13.725
flat angles P-C4'-P energy: -10.380
tors. eta vs tors. theta energy: -14.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -172.200159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.200159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.200159 (E_RNA)
where:
Base-Base interactions energy: -99.240
where: short stacking energy: -56.218
Base-Backbone interact. energy: -0.590
local terms energy: -72.370687
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -17.151
flat angles C4'-P-C4' energy: -16.605
flat angles P-C4'-P energy: -11.267
tors. eta vs tors. theta energy: -14.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -174.091846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.091846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.091846 (E_RNA)
where:
Base-Base interactions energy: -107.148
where: short stacking energy: -61.681
Base-Backbone interact. energy: 0.942
local terms energy: -67.885174
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -13.073
flat angles C4'-P-C4' energy: -16.218
flat angles P-C4'-P energy: -11.392
tors. eta vs tors. theta energy: -12.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -101.499585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.499585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.499585 (E_RNA)
where:
Base-Base interactions energy: -48.527
where: short stacking energy: -33.418
Base-Backbone interact. energy: -0.282
local terms energy: -52.690505
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -16.208
flat angles C4'-P-C4' energy: -10.560
flat angles P-C4'-P energy: -4.752
tors. eta vs tors. theta energy: -4.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -118.203248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.203248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.203248 (E_RNA)
where:
Base-Base interactions energy: -66.318
where: short stacking energy: -54.032
Base-Backbone interact. energy: -0.057
local terms energy: -51.827923
where:
bonds (distance) C4'-P energy: -15.184
bonds (distance) P-C4' energy: -12.325
flat angles C4'-P-C4' energy: -12.508
flat angles P-C4'-P energy: -6.857
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: 7, replica: 10
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -96.227239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.227239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.227239 (E_RNA)
where:
Base-Base interactions energy: -38.945
where: short stacking energy: -37.921
Base-Backbone interact. energy: -0.010
local terms energy: -57.271947
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -13.978
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -7.912
tors. eta vs tors. theta energy: -6.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -88.278875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.278875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.278875 (E_RNA)
where:
Base-Base interactions energy: -36.616
where: short stacking energy: -32.165
Base-Backbone interact. energy: -0.072
local terms energy: -51.590870
where:
bonds (distance) C4'-P energy: -12.158
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -12.947
flat angles P-C4'-P energy: -9.010
tors. eta vs tors. theta energy: -1.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -82.830968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.830968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.830968 (E_RNA)
where:
Base-Base interactions energy: -31.871
where: short stacking energy: -22.269
Base-Backbone interact. energy: -0.341
local terms energy: -50.619066
where:
bonds (distance) C4'-P energy: -12.594
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -15.711
flat angles P-C4'-P energy: -8.408
tors. eta vs tors. theta energy: 0.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -83.159817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.159817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.159817 (E_RNA)
where:
Base-Base interactions energy: -45.215
where: short stacking energy: -22.431
Base-Backbone interact. energy: -0.192
local terms energy: -37.753523
where:
bonds (distance) C4'-P energy: -4.144
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -16.126
flat angles P-C4'-P energy: -5.316
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: 1, replica: 2
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -208.012518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.012518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.012518 (E_RNA)
where:
Base-Base interactions energy: -141.152
where: short stacking energy: -59.240
Base-Backbone interact. energy: -0.053
local terms energy: -66.807538
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -13.652
flat angles C4'-P-C4' energy: -16.351
flat angles P-C4'-P energy: -8.698
tors. eta vs tors. theta energy: -16.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -205.766021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.766021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.766021 (E_RNA)
where:
Base-Base interactions energy: -136.174
where: short stacking energy: -64.027
Base-Backbone interact. energy: 0.175
local terms energy: -69.767210
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -14.830
flat angles P-C4'-P energy: -10.290
tors. eta vs tors. theta energy: -14.568
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: 8
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -173.723923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.723923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.723923 (E_RNA)
where:
Base-Base interactions energy: -100.952
where: short stacking energy: -65.321
Base-Backbone interact. energy: 0.152
local terms energy: -72.924150
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -16.664
flat angles C4'-P-C4' energy: -12.883
flat angles P-C4'-P energy: -14.032
tors. eta vs tors. theta energy: -14.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -158.060030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.060030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.060030 (E_RNA)
where:
Base-Base interactions energy: -97.552
where: short stacking energy: -54.506
Base-Backbone interact. energy: -0.038
local terms energy: -60.470492
where:
bonds (distance) C4'-P energy: -12.091
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -12.175
flat angles P-C4'-P energy: -8.978
tors. eta vs tors. theta energy: -12.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -111.901416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.901416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.901416 (E_RNA)
where:
Base-Base interactions energy: -45.913
where: short stacking energy: -42.022
Base-Backbone interact. energy: -0.001
local terms energy: -65.986619
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -17.039
flat angles C4'-P-C4' energy: -12.489
flat angles P-C4'-P energy: -12.950
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: 6, replica: 10
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -96.531342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.531342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.531342 (E_RNA)
where:
Base-Base interactions energy: -43.073
where: short stacking energy: -41.845
Base-Backbone interact. energy: 1.176
local terms energy: -54.634517
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -12.309
flat angles C4'-P-C4' energy: -12.782
flat angles P-C4'-P energy: -5.050
tors. eta vs tors. theta energy: -8.019
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: 7, replica: 9
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -86.498290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.498290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.498290 (E_RNA)
where:
Base-Base interactions energy: -38.733
where: short stacking energy: -29.434
Base-Backbone interact. energy: -0.527
local terms energy: -47.238415
where:
bonds (distance) C4'-P energy: -12.660
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -9.273
flat angles P-C4'-P energy: -7.959
tors. eta vs tors. theta energy: -1.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -105.164618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.164618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.164618 (E_RNA)
where:
Base-Base interactions energy: -44.615
where: short stacking energy: -29.836
Base-Backbone interact. energy: -0.773
local terms energy: -59.777175
where:
bonds (distance) C4'-P energy: -11.412
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -13.404
flat angles P-C4'-P energy: -9.514
tors. eta vs tors. theta energy: -10.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -81.423793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.423793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.423793 (E_RNA)
where:
Base-Base interactions energy: -28.838
where: short stacking energy: -24.522
Base-Backbone interact. energy: -0.189
local terms energy: -52.396813
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -8.961
flat angles P-C4'-P energy: -12.232
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: 7
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -74.481013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.481013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.481013 (E_RNA)
where:
Base-Base interactions energy: -35.798
where: short stacking energy: -10.840
Base-Backbone interact. energy: -0.042
local terms energy: -38.640766
where:
bonds (distance) C4'-P energy: -12.268
bonds (distance) P-C4' energy: -14.914
flat angles C4'-P-C4' energy: -12.202
flat angles P-C4'-P energy: -7.611
tors. eta vs tors. theta energy: 8.354
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: 5
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -209.318322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.318322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.318322 (E_RNA)
where:
Base-Base interactions energy: -136.033
where: short stacking energy: -57.856
Base-Backbone interact. energy: -0.120
local terms energy: -73.164779
where:
bonds (distance) C4'-P energy: -13.860
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -12.573
flat angles P-C4'-P energy: -12.196
tors. eta vs tors. theta energy: -17.960
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: 2
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -202.511337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.511337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.511337 (E_RNA)
where:
Base-Base interactions energy: -133.975
where: short stacking energy: -55.782
Base-Backbone interact. energy: -0.017
local terms energy: -68.518996
where:
bonds (distance) C4'-P energy: -14.262
bonds (distance) P-C4' energy: -13.855
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -11.043
tors. eta vs tors. theta energy: -15.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -166.859895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.859895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.859895 (E_RNA)
where:
Base-Base interactions energy: -96.077
where: short stacking energy: -57.477
Base-Backbone interact. energy: -1.006
local terms energy: -69.777297
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -12.469
flat angles C4'-P-C4' energy: -16.320
flat angles P-C4'-P energy: -11.859
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: 4, replica: 8
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -155.983895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.983895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.983895 (E_RNA)
where:
Base-Base interactions energy: -96.641
where: short stacking energy: -54.461
Base-Backbone interact. energy: -0.237
local terms energy: -59.106274
where:
bonds (distance) C4'-P energy: -13.373
bonds (distance) P-C4' energy: -15.828
flat angles C4'-P-C4' energy: -8.150
flat angles P-C4'-P energy: -8.340
tors. eta vs tors. theta energy: -13.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -123.904051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.904051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.904051 (E_RNA)
where:
Base-Base interactions energy: -64.673
where: short stacking energy: -49.885
Base-Backbone interact. energy: -0.822
local terms energy: -58.408899
where:
bonds (distance) C4'-P energy: -12.162
bonds (distance) P-C4' energy: -14.378
flat angles C4'-P-C4' energy: -12.602
flat angles P-C4'-P energy: -7.644
tors. eta vs tors. theta energy: -11.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -122.587669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.587669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.587669 (E_RNA)
where:
Base-Base interactions energy: -68.934
where: short stacking energy: -33.625
Base-Backbone interact. energy: -0.808
local terms energy: -52.845954
where:
bonds (distance) C4'-P energy: -7.828
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -16.496
flat angles P-C4'-P energy: -9.112
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: 7, replica: 9
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -97.201536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.201536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.201536 (E_RNA)
where:
Base-Base interactions energy: -40.342
where: short stacking energy: -35.747
Base-Backbone interact. energy: -0.975
local terms energy: -55.883879
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -13.992
flat angles C4'-P-C4' energy: -11.907
flat angles P-C4'-P energy: -7.404
tors. eta vs tors. theta energy: -6.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -95.700411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.700411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.700411 (E_RNA)
where:
Base-Base interactions energy: -38.568
where: short stacking energy: -37.634
Base-Backbone interact. energy: -0.299
local terms energy: -56.833474
where:
bonds (distance) C4'-P energy: -16.712
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -12.729
flat angles P-C4'-P energy: -6.741
tors. eta vs tors. theta energy: -3.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -79.767771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.767771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.767771 (E_RNA)
where:
Base-Base interactions energy: -28.920
where: short stacking energy: -28.920
Base-Backbone interact. energy: -0.044
local terms energy: -50.804040
where:
bonds (distance) C4'-P energy: -10.861
bonds (distance) P-C4' energy: -12.996
flat angles C4'-P-C4' energy: -13.020
flat angles P-C4'-P energy: -10.274
tors. eta vs tors. theta energy: -3.652
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: 6
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -73.607456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.607456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.607456 (E_RNA)
where:
Base-Base interactions energy: -24.846
where: short stacking energy: -24.034
Base-Backbone interact. energy: 0.930
local terms energy: -49.691078
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -12.032
flat angles P-C4'-P energy: -7.393
tors. eta vs tors. theta energy: -0.616
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: 1, replica: 5
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -202.543835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.543835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.543835 (E_RNA)
where:
Base-Base interactions energy: -132.810
where: short stacking energy: -59.278
Base-Backbone interact. energy: -0.006
local terms energy: -69.727323
where:
bonds (distance) C4'-P energy: -11.375
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -17.332
flat angles P-C4'-P energy: -9.473
tors. eta vs tors. theta energy: -16.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -187.580247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.580247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.580247 (E_RNA)
where:
Base-Base interactions energy: -120.086
where: short stacking energy: -49.706
Base-Backbone interact. energy: -0.007
local terms energy: -67.487181
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -13.470
flat angles P-C4'-P energy: -12.721
tors. eta vs tors. theta energy: -13.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -169.501289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.501289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.501289 (E_RNA)
where:
Base-Base interactions energy: -94.942
where: short stacking energy: -49.177
Base-Backbone interact. energy: -0.811
local terms energy: -73.748842
where:
bonds (distance) C4'-P energy: -16.749
bonds (distance) P-C4' energy: -12.739
flat angles C4'-P-C4' energy: -16.105
flat angles P-C4'-P energy: -11.446
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: 4, replica: 8
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -150.471278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.471278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.471278 (E_RNA)
where:
Base-Base interactions energy: -83.773
where: short stacking energy: -51.927
Base-Backbone interact. energy: -0.239
local terms energy: -66.458849
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -10.939
tors. eta vs tors. theta energy: -10.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -109.857690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.857690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.857690 (E_RNA)
where:
Base-Base interactions energy: -44.733
where: short stacking energy: -41.031
Base-Backbone interact. energy: -0.232
local terms energy: -64.892747
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -15.896
flat angles P-C4'-P energy: -7.215
tors. eta vs tors. theta energy: -9.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -95.665927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.665927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.665927 (E_RNA)
where:
Base-Base interactions energy: -50.082
where: short stacking energy: -33.441
Base-Backbone interact. energy: -0.026
local terms energy: -45.557316
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -11.908
flat angles C4'-P-C4' energy: -8.967
flat angles P-C4'-P energy: -3.121
tors. eta vs tors. theta energy: -5.525
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: 1
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -134.443013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.443013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.443013 (E_RNA)
where:
Base-Base interactions energy: -75.427
where: short stacking energy: -47.363
Base-Backbone interact. energy: -0.266
local terms energy: -58.750343
where:
bonds (distance) C4'-P energy: -11.339
bonds (distance) P-C4' energy: -9.607
flat angles C4'-P-C4' energy: -16.173
flat angles P-C4'-P energy: -8.471
tors. eta vs tors. theta energy: -13.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -88.569013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.569013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.569013 (E_RNA)
where:
Base-Base interactions energy: -34.456
where: short stacking energy: -33.885
Base-Backbone interact. energy: -0.236
local terms energy: -53.876858
where:
bonds (distance) C4'-P energy: -12.495
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -13.622
flat angles P-C4'-P energy: -11.540
tors. eta vs tors. theta energy: -2.372
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: 3
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -74.733981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.733981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.733981 (E_RNA)
where:
Base-Base interactions energy: -17.506
where: short stacking energy: -16.660
Base-Backbone interact. energy: -0.166
local terms energy: -57.061592
where:
bonds (distance) C4'-P energy: -16.508
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -9.997
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: 10, replica: 6
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -85.587732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.587732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.587732 (E_RNA)
where:
Base-Base interactions energy: -26.648
where: short stacking energy: -24.420
Base-Backbone interact. energy: -0.115
local terms energy: -58.824333
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -13.565
flat angles P-C4'-P energy: -11.763
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: 5
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -213.170417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.170417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.170417 (E_RNA)
where:
Base-Base interactions energy: -138.706
where: short stacking energy: -67.058
Base-Backbone interact. energy: 0.997
local terms energy: -75.461576
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -12.069
flat angles P-C4'-P energy: -13.316
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: 2, replica: 2
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -193.853530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.853530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.853530 (E_RNA)
where:
Base-Base interactions energy: -126.927
where: short stacking energy: -61.103
Base-Backbone interact. energy: -0.004
local terms energy: -66.922477
where:
bonds (distance) C4'-P energy: -11.255
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -14.447
flat angles P-C4'-P energy: -9.176
tors. eta vs tors. theta energy: -15.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -154.569397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.569397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.569397 (E_RNA)
where:
Base-Base interactions energy: -88.204
where: short stacking energy: -46.065
Base-Backbone interact. energy: -0.020
local terms energy: -66.345424
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -10.515
flat angles C4'-P-C4' energy: -15.429
flat angles P-C4'-P energy: -12.136
tors. eta vs tors. theta energy: -12.046
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: 4
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -168.601648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.601648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.601648 (E_RNA)
where:
Base-Base interactions energy: -102.024
where: short stacking energy: -43.846
Base-Backbone interact. energy: -0.335
local terms energy: -66.243017
where:
bonds (distance) C4'-P energy: -12.856
bonds (distance) P-C4' energy: -13.704
flat angles C4'-P-C4' energy: -15.524
flat angles P-C4'-P energy: -10.995
tors. eta vs tors. theta energy: -13.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -115.126817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.126817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.126817 (E_RNA)
where:
Base-Base interactions energy: -59.551
where: short stacking energy: -36.004
Base-Backbone interact. energy: 2.423
local terms energy: -57.999105
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -16.310
flat angles C4'-P-C4' energy: -12.321
flat angles P-C4'-P energy: -10.103
tors. eta vs tors. theta energy: -6.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -101.832162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.832162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.832162 (E_RNA)
where:
Base-Base interactions energy: -49.074
where: short stacking energy: -49.074
Base-Backbone interact. energy: -0.143
local terms energy: -52.614912
where:
bonds (distance) C4'-P energy: -12.144
bonds (distance) P-C4' energy: -8.501
flat angles C4'-P-C4' energy: -12.541
flat angles P-C4'-P energy: -11.104
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: 7, replica: 1
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -127.075434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.075434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.075434 (E_RNA)
where:
Base-Base interactions energy: -66.861
where: short stacking energy: -40.982
Base-Backbone interact. energy: -0.301
local terms energy: -59.913207
where:
bonds (distance) C4'-P energy: -16.176
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -12.610
flat angles P-C4'-P energy: -6.729
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: 8, replica: 7
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -86.551098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.551098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.551098 (E_RNA)
where:
Base-Base interactions energy: -32.606
where: short stacking energy: -23.163
Base-Backbone interact. energy: -0.043
local terms energy: -53.901926
where:
bonds (distance) C4'-P energy: -15.244
bonds (distance) P-C4' energy: -13.238
flat angles C4'-P-C4' energy: -10.322
flat angles P-C4'-P energy: -10.468
tors. eta vs tors. theta energy: -4.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -89.787310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.787310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.787310 (E_RNA)
where:
Base-Base interactions energy: -46.567
where: short stacking energy: -35.796
Base-Backbone interact. energy: -0.182
local terms energy: -43.038264
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -11.537
flat angles C4'-P-C4' energy: -9.490
flat angles P-C4'-P energy: -4.686
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -87.669658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.669658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.669658 (E_RNA)
where:
Base-Base interactions energy: -42.133
where: short stacking energy: -35.374
Base-Backbone interact. energy: -0.093
local terms energy: -45.443064
where:
bonds (distance) C4'-P energy: -10.493
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -8.189
flat angles P-C4'-P energy: -7.298
tors. eta vs tors. theta energy: -4.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -194.483204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.483204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.483204 (E_RNA)
where:
Base-Base interactions energy: -122.252
where: short stacking energy: -64.842
Base-Backbone interact. energy: -0.006
local terms energy: -72.225178
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -15.416
flat angles C4'-P-C4' energy: -17.212
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -16.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -177.942700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.942700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.942700 (E_RNA)
where:
Base-Base interactions energy: -109.555
where: short stacking energy: -54.476
Base-Backbone interact. energy: -0.083
local terms energy: -68.304884
where:
bonds (distance) C4'-P energy: -17.381
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -15.083
flat angles P-C4'-P energy: -9.330
tors. eta vs tors. theta energy: -11.890
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: 8
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -149.851505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.851505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.851505 (E_RNA)
where:
Base-Base interactions energy: -89.703
where: short stacking energy: -52.587
Base-Backbone interact. energy: -0.799
local terms energy: -59.349801
where:
bonds (distance) C4'-P energy: -12.430
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -14.135
flat angles P-C4'-P energy: -7.239
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: 10
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -165.245060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.245060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.245060 (E_RNA)
where:
Base-Base interactions energy: -92.490
where: short stacking energy: -52.724
Base-Backbone interact. energy: -1.139
local terms energy: -71.615646
where:
bonds (distance) C4'-P energy: -16.536
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -14.233
flat angles P-C4'-P energy: -11.973
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: 5, replica: 4
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -162.794122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.794122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.794122 (E_RNA)
where:
Base-Base interactions energy: -95.377
where: short stacking energy: -54.649
Base-Backbone interact. energy: -1.121
local terms energy: -66.296581
where:
bonds (distance) C4'-P energy: -12.148
bonds (distance) P-C4' energy: -14.295
flat angles C4'-P-C4' energy: -14.855
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: -15.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -132.215497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.215497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.215497 (E_RNA)
where:
Base-Base interactions energy: -71.717
where: short stacking energy: -43.797
Base-Backbone interact. energy: -0.455
local terms energy: -60.043434
where:
bonds (distance) C4'-P energy: -15.509
bonds (distance) P-C4' energy: -10.881
flat angles C4'-P-C4' energy: -16.800
flat angles P-C4'-P energy: -9.237
tors. eta vs tors. theta energy: -7.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -98.458777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.458777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.458777 (E_RNA)
where:
Base-Base interactions energy: -42.972
where: short stacking energy: -42.972
Base-Backbone interact. energy: -0.084
local terms energy: -55.402747
where:
bonds (distance) C4'-P energy: -16.078
bonds (distance) P-C4' energy: -13.746
flat angles C4'-P-C4' energy: -8.923
flat angles P-C4'-P energy: -13.453
tors. eta vs tors. theta energy: -3.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -103.365307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.365307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.365307 (E_RNA)
where:
Base-Base interactions energy: -41.831
where: short stacking energy: -29.205
Base-Backbone interact. energy: -0.080
local terms energy: -61.454207
where:
bonds (distance) C4'-P energy: -16.310
bonds (distance) P-C4' energy: -17.855
flat angles C4'-P-C4' energy: -8.888
flat angles P-C4'-P energy: -9.929
tors. eta vs tors. theta energy: -8.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -78.660109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.660109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.660109 (E_RNA)
where:
Base-Base interactions energy: -22.733
where: short stacking energy: -20.394
Base-Backbone interact. energy: -0.467
local terms energy: -55.460164
where:
bonds (distance) C4'-P energy: -18.188
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -15.010
flat angles P-C4'-P energy: -9.033
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: 3
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -77.166793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.166793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.166793 (E_RNA)
where:
Base-Base interactions energy: -27.491
where: short stacking energy: -20.011
Base-Backbone interact. energy: -0.495
local terms energy: -49.180993
where:
bonds (distance) C4'-P energy: -13.632
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -14.800
flat angles P-C4'-P energy: -9.475
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: 1, replica: 5
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -197.875321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.875321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.875321 (E_RNA)
where:
Base-Base interactions energy: -128.368
where: short stacking energy: -57.396
Base-Backbone interact. energy: -0.069
local terms energy: -69.438302
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -15.462
flat angles C4'-P-C4' energy: -14.815
flat angles P-C4'-P energy: -12.510
tors. eta vs tors. theta energy: -13.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -189.602499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.602499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.602499 (E_RNA)
where:
Base-Base interactions energy: -123.235
where: short stacking energy: -60.493
Base-Backbone interact. energy: -0.169
local terms energy: -66.198920
where:
bonds (distance) C4'-P energy: -12.071
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -16.719
flat angles P-C4'-P energy: -6.965
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: 3, replica: 10
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -161.832725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.832725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.832725 (E_RNA)
where:
Base-Base interactions energy: -94.623
where: short stacking energy: -50.764
Base-Backbone interact. energy: -0.253
local terms energy: -66.956647
where:
bonds (distance) C4'-P energy: -14.005
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -12.293
flat angles P-C4'-P energy: -11.012
tors. eta vs tors. theta energy: -13.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -153.817334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.817334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.817334 (E_RNA)
where:
Base-Base interactions energy: -97.089
where: short stacking energy: -44.058
Base-Backbone interact. energy: 0.474
local terms energy: -57.202797
where:
bonds (distance) C4'-P energy: -10.588
bonds (distance) P-C4' energy: -16.015
flat angles C4'-P-C4' energy: -13.415
flat angles P-C4'-P energy: -5.921
tors. eta vs tors. theta energy: -11.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -166.655520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.655520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.655520 (E_RNA)
where:
Base-Base interactions energy: -102.378
where: short stacking energy: -64.389
Base-Backbone interact. energy: -1.971
local terms energy: -62.306251
where:
bonds (distance) C4'-P energy: -9.254
bonds (distance) P-C4' energy: -13.285
flat angles C4'-P-C4' energy: -12.186
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -16.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -144.468934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.468934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.468934 (E_RNA)
where:
Base-Base interactions energy: -93.186
where: short stacking energy: -42.118
Base-Backbone interact. energy: -1.347
local terms energy: -49.936695
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -13.759
flat angles P-C4'-P energy: -4.838
tors. eta vs tors. theta energy: -3.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -95.940114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.940114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.940114 (E_RNA)
where:
Base-Base interactions energy: -42.298
where: short stacking energy: -42.250
Base-Backbone interact. energy: -0.052
local terms energy: -53.589632
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -6.260
flat angles P-C4'-P energy: -13.233
tors. eta vs tors. theta energy: -4.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -79.669951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.669951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.669951 (E_RNA)
where:
Base-Base interactions energy: -33.653
where: short stacking energy: -33.653
Base-Backbone interact. energy: -0.133
local terms energy: -45.883884
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -10.012
flat angles P-C4'-P energy: -11.436
tors. eta vs tors. theta energy: 4.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -82.214130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.214130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.214130 (E_RNA)
where:
Base-Base interactions energy: -29.724
where: short stacking energy: -29.239
Base-Backbone interact. energy: -0.166
local terms energy: -52.323295
where:
bonds (distance) C4'-P energy: -10.487
bonds (distance) P-C4' energy: -12.823
flat angles C4'-P-C4' energy: -16.114
flat angles P-C4'-P energy: -6.227
tors. eta vs tors. theta energy: -6.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -80.323468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.323468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.323468 (E_RNA)
where:
Base-Base interactions energy: -26.693
where: short stacking energy: -21.133
Base-Backbone interact. energy: -1.040
local terms energy: -52.590885
where:
bonds (distance) C4'-P energy: -16.635
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -11.474
tors. eta vs tors. theta energy: 2.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -213.874620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.874620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.874620 (E_RNA)
where:
Base-Base interactions energy: -142.816
where: short stacking energy: -58.324
Base-Backbone interact. energy: 0.839
local terms energy: -71.897488
where:
bonds (distance) C4'-P energy: -17.104
bonds (distance) P-C4' energy: -12.985
flat angles C4'-P-C4' energy: -15.096
flat angles P-C4'-P energy: -11.970
tors. eta vs tors. theta energy: -14.743
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: 2
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -200.326482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.326482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.326482 (E_RNA)
where:
Base-Base interactions energy: -128.100
where: short stacking energy: -64.919
Base-Backbone interact. energy: -0.074
local terms energy: -72.152670
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -10.780
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: 3, replica: 10
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -162.143950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.143950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.143950 (E_RNA)
where:
Base-Base interactions energy: -98.078
where: short stacking energy: -56.933
Base-Backbone interact. energy: 0.085
local terms energy: -64.150808
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -15.160
flat angles P-C4'-P energy: -9.449
tors. eta vs tors. theta energy: -11.166
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: 4, replica: 4
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -147.842204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.842204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.842204 (E_RNA)
where:
Base-Base interactions energy: -88.496
where: short stacking energy: -46.372
Base-Backbone interact. energy: -0.248
local terms energy: -59.098167
where:
bonds (distance) C4'-P energy: -12.344
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -13.185
flat angles P-C4'-P energy: -10.042
tors. eta vs tors. theta energy: -7.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -155.508778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.508778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.508778 (E_RNA)
where:
Base-Base interactions energy: -94.868
where: short stacking energy: -47.155
Base-Backbone interact. energy: -0.154
local terms energy: -60.486256
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -12.419
flat angles C4'-P-C4' energy: -14.139
flat angles P-C4'-P energy: -6.795
tors. eta vs tors. theta energy: -12.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -147.888648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.888648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.888648 (E_RNA)
where:
Base-Base interactions energy: -95.130
where: short stacking energy: -48.706
Base-Backbone interact. energy: -0.439
local terms energy: -52.318869
where:
bonds (distance) C4'-P energy: -13.214
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -10.644
flat angles P-C4'-P energy: -2.800
tors. eta vs tors. theta energy: -10.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -102.227582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.227582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.227582 (E_RNA)
where:
Base-Base interactions energy: -45.471
where: short stacking energy: -41.777
Base-Backbone interact. energy: 0.214
local terms energy: -56.969845
where:
bonds (distance) C4'-P energy: -11.299
bonds (distance) P-C4' energy: -14.173
flat angles C4'-P-C4' energy: -11.073
flat angles P-C4'-P energy: -11.068
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: 8, replica: 3
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -83.875376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.875376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.875376 (E_RNA)
where:
Base-Base interactions energy: -38.335
where: short stacking energy: -31.361
Base-Backbone interact. energy: 2.873
local terms energy: -48.413708
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -8.319
flat angles P-C4'-P energy: -4.620
tors. eta vs tors. theta energy: -7.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -73.159640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.159640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.159640 (E_RNA)
where:
Base-Base interactions energy: -27.219
where: short stacking energy: -25.606
Base-Backbone interact. energy: -0.247
local terms energy: -45.693893
where:
bonds (distance) C4'-P energy: -6.328
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -16.440
flat angles P-C4'-P energy: -8.887
tors. eta vs tors. theta energy: -1.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -78.816374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.816374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.816374 (E_RNA)
where:
Base-Base interactions energy: -27.583
where: short stacking energy: -22.211
Base-Backbone interact. energy: 1.242
local terms energy: -52.476064
where:
bonds (distance) C4'-P energy: -16.189
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -8.477
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -0.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -207.118536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.118536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.118536 (E_RNA)
where:
Base-Base interactions energy: -133.937
where: short stacking energy: -61.529
Base-Backbone interact. energy: -0.053
local terms energy: -73.128942
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -17.997
flat angles C4'-P-C4' energy: -14.998
flat angles P-C4'-P energy: -9.243
tors. eta vs tors. theta energy: -15.765
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: 2
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -199.588749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.588749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.588749 (E_RNA)
where:
Base-Base interactions energy: -132.349
where: short stacking energy: -57.473
Base-Backbone interact. energy: -0.956
local terms energy: -66.284105
where:
bonds (distance) C4'-P energy: -12.751
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -13.378
flat angles P-C4'-P energy: -11.704
tors. eta vs tors. theta energy: -11.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -154.764611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.764611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.764611 (E_RNA)
where:
Base-Base interactions energy: -89.993
where: short stacking energy: -52.682
Base-Backbone interact. energy: -0.020
local terms energy: -64.751551
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -12.192
flat angles P-C4'-P energy: -8.521
tors. eta vs tors. theta energy: -13.005
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: 10
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -160.001620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.001620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.001620 (E_RNA)
where:
Base-Base interactions energy: -89.846
where: short stacking energy: -56.192
Base-Backbone interact. energy: -0.735
local terms energy: -69.420964
where:
bonds (distance) C4'-P energy: -12.754
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -12.214
tors. eta vs tors. theta energy: -14.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -157.895455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.895455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.895455 (E_RNA)
where:
Base-Base interactions energy: -84.656
where: short stacking energy: -56.629
Base-Backbone interact. energy: 0.511
local terms energy: -73.750529
where:
bonds (distance) C4'-P energy: -17.229
bonds (distance) P-C4' energy: -17.716
flat angles C4'-P-C4' energy: -16.857
flat angles P-C4'-P energy: -8.838
tors. eta vs tors. theta energy: -13.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -149.214493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.214493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.214493 (E_RNA)
where:
Base-Base interactions energy: -91.797
where: short stacking energy: -43.668
Base-Backbone interact. energy: -0.170
local terms energy: -57.247198
where:
bonds (distance) C4'-P energy: -11.734
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -9.174
tors. eta vs tors. theta energy: -7.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -97.314037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.314037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.314037 (E_RNA)
where:
Base-Base interactions energy: -36.231
where: short stacking energy: -30.261
Base-Backbone interact. energy: -0.020
local terms energy: -61.063318
where:
bonds (distance) C4'-P energy: -9.527
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -15.265
flat angles P-C4'-P energy: -10.760
tors. eta vs tors. theta energy: -8.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -86.839781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.839781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.839781 (E_RNA)
where:
Base-Base interactions energy: -39.876
where: short stacking energy: -24.349
Base-Backbone interact. energy: -0.067
local terms energy: -46.896984
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -14.236
flat angles C4'-P-C4' energy: -11.240
flat angles P-C4'-P energy: -4.653
tors. eta vs tors. theta energy: -2.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -80.126408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.126408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.126408 (E_RNA)
where:
Base-Base interactions energy: -29.843
where: short stacking energy: -29.843
Base-Backbone interact. energy: -0.108
local terms energy: -50.175699
where:
bonds (distance) C4'-P energy: -16.547
bonds (distance) P-C4' energy: -15.052
flat angles C4'-P-C4' energy: -11.153
flat angles P-C4'-P energy: -8.053
tors. eta vs tors. theta energy: 0.629
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: 7
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -82.808675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.808675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.808675 (E_RNA)
where:
Base-Base interactions energy: -37.289
where: short stacking energy: -37.289
Base-Backbone interact. energy: -0.010
local terms energy: -45.509433
where:
bonds (distance) C4'-P energy: -9.810
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -11.350
flat angles P-C4'-P energy: -4.768
tors. eta vs tors. theta energy: -3.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -206.459407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.459407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.459407 (E_RNA)
where:
Base-Base interactions energy: -132.899
where: short stacking energy: -66.450
Base-Backbone interact. energy: -0.009
local terms energy: -73.551551
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -11.225
tors. eta vs tors. theta energy: -17.493
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: 2
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -183.881618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.881618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.881618 (E_RNA)
where:
Base-Base interactions energy: -124.459
where: short stacking energy: -49.460
Base-Backbone interact. energy: 0.923
local terms energy: -60.346019
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -12.156
flat angles P-C4'-P energy: -9.192
tors. eta vs tors. theta energy: -11.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -163.265996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.265996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.265996 (E_RNA)
where:
Base-Base interactions energy: -92.873
where: short stacking energy: -55.212
Base-Backbone interact. energy: -0.013
local terms energy: -70.380320
where:
bonds (distance) C4'-P energy: -12.405
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -17.117
flat angles P-C4'-P energy: -11.730
tors. eta vs tors. theta energy: -12.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -155.099811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.099811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.099811 (E_RNA)
where:
Base-Base interactions energy: -94.698
where: short stacking energy: -51.790
Base-Backbone interact. energy: -1.027
local terms energy: -59.375185
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -14.070
flat angles C4'-P-C4' energy: -11.983
flat angles P-C4'-P energy: -9.722
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: 5, replica: 8
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -165.107994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.107994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.107994 (E_RNA)
where:
Base-Base interactions energy: -107.370
where: short stacking energy: -53.127
Base-Backbone interact. energy: -0.006
local terms energy: -57.732528
where:
bonds (distance) C4'-P energy: -9.093
bonds (distance) P-C4' energy: -14.294
flat angles C4'-P-C4' energy: -14.318
flat angles P-C4'-P energy: -6.430
tors. eta vs tors. theta energy: -13.598
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: 75
Temperature: 1.150000
Total energy: -107.819725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.819725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.819725 (E_RNA)
where:
Base-Base interactions energy: -44.727
where: short stacking energy: -44.727
Base-Backbone interact. energy: -0.104
local terms energy: -62.989443
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -15.750
flat angles P-C4'-P energy: -8.986
tors. eta vs tors. theta energy: -7.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -120.039898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.039898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.039898 (E_RNA)
where:
Base-Base interactions energy: -74.454
where: short stacking energy: -28.384
Base-Backbone interact. energy: -0.067
local terms energy: -45.519054
where:
bonds (distance) C4'-P energy: -12.178
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -8.282
flat angles P-C4'-P energy: -7.421
tors. eta vs tors. theta energy: -3.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -109.362547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.362547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.362547 (E_RNA)
where:
Base-Base interactions energy: -52.560
where: short stacking energy: -36.430
Base-Backbone interact. energy: -0.161
local terms energy: -56.641477
where:
bonds (distance) C4'-P energy: -10.542
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -13.903
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -6.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -79.071860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.071860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.071860 (E_RNA)
where:
Base-Base interactions energy: -31.623
where: short stacking energy: -31.623
Base-Backbone interact. energy: -0.045
local terms energy: -47.404111
where:
bonds (distance) C4'-P energy: -8.128
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -13.647
flat angles P-C4'-P energy: -6.529
tors. eta vs tors. theta energy: -3.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -73.677422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.677422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.677422 (E_RNA)
where:
Base-Base interactions energy: -27.704
where: short stacking energy: -22.600
Base-Backbone interact. energy: -1.406
local terms energy: -44.567233
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -10.860
flat angles P-C4'-P energy: -5.635
tors. eta vs tors. theta energy: 1.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -203.877661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.877661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.877661 (E_RNA)
where:
Base-Base interactions energy: -134.751
where: short stacking energy: -61.757
Base-Backbone interact. energy: -0.007
local terms energy: -69.119514
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -8.135
tors. eta vs tors. theta energy: -17.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -190.863559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.863559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.863559 (E_RNA)
where:
Base-Base interactions energy: -122.741
where: short stacking energy: -61.549
Base-Backbone interact. energy: -0.863
local terms energy: -67.259521
where:
bonds (distance) C4'-P energy: -11.694
bonds (distance) P-C4' energy: -17.555
flat angles C4'-P-C4' energy: -18.314
flat angles P-C4'-P energy: -9.489
tors. eta vs tors. theta energy: -10.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -158.962949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.962949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.962949 (E_RNA)
where:
Base-Base interactions energy: -89.058
where: short stacking energy: -44.970
Base-Backbone interact. energy: -0.026
local terms energy: -69.878249
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -16.482
flat angles P-C4'-P energy: -11.657
tors. eta vs tors. theta energy: -12.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -157.077389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.077389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.077389 (E_RNA)
where:
Base-Base interactions energy: -93.149
where: short stacking energy: -46.703
Base-Backbone interact. energy: 0.329
local terms energy: -64.257311
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -17.430
flat angles C4'-P-C4' energy: -15.170
flat angles P-C4'-P energy: -7.467
tors. eta vs tors. theta energy: -11.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -167.309051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.309051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.309051 (E_RNA)
where:
Base-Base interactions energy: -101.713
where: short stacking energy: -54.005
Base-Backbone interact. energy: -0.069
local terms energy: -65.526641
where:
bonds (distance) C4'-P energy: -12.034
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -13.007
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -12.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -100.527976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.527976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.527976 (E_RNA)
where:
Base-Base interactions energy: -47.632
where: short stacking energy: -37.954
Base-Backbone interact. energy: -0.550
local terms energy: -52.346860
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -14.165
flat angles P-C4'-P energy: -3.468
tors. eta vs tors. theta energy: -3.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -97.930209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.930209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.930209 (E_RNA)
where:
Base-Base interactions energy: -42.855
where: short stacking energy: -37.456
Base-Backbone interact. energy: 0.680
local terms energy: -55.755422
where:
bonds (distance) C4'-P energy: -10.195
bonds (distance) P-C4' energy: -11.481
flat angles C4'-P-C4' energy: -15.257
flat angles P-C4'-P energy: -6.671
tors. eta vs tors. theta energy: -12.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -79.958850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.958850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.958850 (E_RNA)
where:
Base-Base interactions energy: -26.689
where: short stacking energy: -18.059
Base-Backbone interact. energy: -0.551
local terms energy: -52.718786
where:
bonds (distance) C4'-P energy: -9.909
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -16.157
flat angles P-C4'-P energy: -10.996
tors. eta vs tors. theta energy: -0.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -92.371467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.371467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.371467 (E_RNA)
where:
Base-Base interactions energy: -37.644
where: short stacking energy: -28.058
Base-Backbone interact. energy: -1.111
local terms energy: -53.616404
where:
bonds (distance) C4'-P energy: -11.156
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -13.238
flat angles P-C4'-P energy: -8.625
tors. eta vs tors. theta energy: -4.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -84.427949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.427949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.427949 (E_RNA)
where:
Base-Base interactions energy: -40.154
where: short stacking energy: -27.388
Base-Backbone interact. energy: -0.160
local terms energy: -44.113947
where:
bonds (distance) C4'-P energy: -10.956
bonds (distance) P-C4' energy: -12.931
flat angles C4'-P-C4' energy: -14.174
flat angles P-C4'-P energy: -2.551
tors. eta vs tors. theta energy: -3.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -208.582149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.582149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.582149 (E_RNA)
where:
Base-Base interactions energy: -138.373
where: short stacking energy: -61.060
Base-Backbone interact. energy: -0.216
local terms energy: -69.992881
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -10.172
tors. eta vs tors. theta energy: -13.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -189.749073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.749073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.749073 (E_RNA)
where:
Base-Base interactions energy: -123.338
where: short stacking energy: -52.514
Base-Backbone interact. energy: -0.644
local terms energy: -65.766590
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -13.908
flat angles C4'-P-C4' energy: -12.576
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -16.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -172.879284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.879284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.879284 (E_RNA)
where:
Base-Base interactions energy: -104.146
where: short stacking energy: -49.969
Base-Backbone interact. energy: -0.298
local terms energy: -68.434657
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -12.751
flat angles P-C4'-P energy: -8.072
tors. eta vs tors. theta energy: -18.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -164.980079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.980079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.980079 (E_RNA)
where:
Base-Base interactions energy: -97.182
where: short stacking energy: -51.512
Base-Backbone interact. energy: -0.080
local terms energy: -67.718367
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -11.107
flat angles C4'-P-C4' energy: -17.303
flat angles P-C4'-P energy: -11.758
tors. eta vs tors. theta energy: -13.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -160.414152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.414152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.414152 (E_RNA)
where:
Base-Base interactions energy: -98.013
where: short stacking energy: -53.732
Base-Backbone interact. energy: -0.012
local terms energy: -62.389035
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -16.819
flat angles P-C4'-P energy: -9.646
tors. eta vs tors. theta energy: -8.789
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: 6
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -98.197978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.197978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.197978 (E_RNA)
where:
Base-Base interactions energy: -41.237
where: short stacking energy: -40.766
Base-Backbone interact. energy: -0.067
local terms energy: -56.893759
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -13.360
flat angles P-C4'-P energy: -10.422
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: 7, replica: 3
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -96.700358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.700358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.700358 (E_RNA)
where:
Base-Base interactions energy: -48.869
where: short stacking energy: -26.248
Base-Backbone interact. energy: -0.272
local terms energy: -47.559914
where:
bonds (distance) C4'-P energy: -10.781
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -15.231
flat angles P-C4'-P energy: -10.869
tors. eta vs tors. theta energy: 2.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -88.840546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.840546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.840546 (E_RNA)
where:
Base-Base interactions energy: -38.644
where: short stacking energy: -38.644
Base-Backbone interact. energy: -0.972
local terms energy: -49.224958
where:
bonds (distance) C4'-P energy: -14.060
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -10.208
flat angles P-C4'-P energy: -8.890
tors. eta vs tors. theta energy: -2.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -86.760994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.760994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.760994 (E_RNA)
where:
Base-Base interactions energy: -35.840
where: short stacking energy: -34.590
Base-Backbone interact. energy: -0.396
local terms energy: -50.524794
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -16.888
flat angles P-C4'-P energy: -7.521
tors. eta vs tors. theta energy: -0.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -77.458590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.458590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.458590 (E_RNA)
where:
Base-Base interactions energy: -27.819
where: short stacking energy: -23.614
Base-Backbone interact. energy: 1.456
local terms energy: -51.095376
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -12.411
flat angles C4'-P-C4' energy: -16.891
flat angles P-C4'-P energy: -7.035
tors. eta vs tors. theta energy: -0.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -193.230833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.230833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.230833 (E_RNA)
where:
Base-Base interactions energy: -135.654
where: short stacking energy: -54.882
Base-Backbone interact. energy: -0.537
local terms energy: -57.039241
where:
bonds (distance) C4'-P energy: -11.155
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -11.146
flat angles P-C4'-P energy: -8.771
tors. eta vs tors. theta energy: -10.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -207.366187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.366187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.366187 (E_RNA)
where:
Base-Base interactions energy: -139.941
where: short stacking energy: -63.498
Base-Backbone interact. energy: -0.533
local terms energy: -66.891764
where:
bonds (distance) C4'-P energy: -15.733
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -13.767
flat angles P-C4'-P energy: -5.960
tors. eta vs tors. theta energy: -16.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -167.509676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.509676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.509676 (E_RNA)
where:
Base-Base interactions energy: -99.771
where: short stacking energy: -55.877
Base-Backbone interact. energy: -0.033
local terms energy: -67.705267
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -12.342
flat angles P-C4'-P energy: -9.827
tors. eta vs tors. theta energy: -12.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -163.924946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.924946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.924946 (E_RNA)
where:
Base-Base interactions energy: -93.496
where: short stacking energy: -60.037
Base-Backbone interact. energy: -1.409
local terms energy: -69.019022
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -13.108
flat angles C4'-P-C4' energy: -13.566
flat angles P-C4'-P energy: -9.114
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: 5, replica: 4
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -150.982415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.982415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.982415 (E_RNA)
where:
Base-Base interactions energy: -93.950
where: short stacking energy: -42.491
Base-Backbone interact. energy: -2.376
local terms energy: -54.656267
where:
bonds (distance) C4'-P energy: -6.754
bonds (distance) P-C4' energy: -16.316
flat angles C4'-P-C4' energy: -13.855
flat angles P-C4'-P energy: -8.041
tors. eta vs tors. theta energy: -9.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -104.666313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.666313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.666313 (E_RNA)
where:
Base-Base interactions energy: -48.959
where: short stacking energy: -48.959
Base-Backbone interact. energy: -0.090
local terms energy: -55.617465
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -10.053
flat angles P-C4'-P energy: -7.608
tors. eta vs tors. theta energy: -8.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -103.098131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.098131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.098131 (E_RNA)
where:
Base-Base interactions energy: -56.450
where: short stacking energy: -42.997
Base-Backbone interact. energy: -0.311
local terms energy: -46.337437
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -10.009
flat angles C4'-P-C4' energy: -9.641
flat angles P-C4'-P energy: -9.041
tors. eta vs tors. theta energy: -5.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -103.868486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.868486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.868486 (E_RNA)
where:
Base-Base interactions energy: -52.867
where: short stacking energy: -39.687
Base-Backbone interact. energy: -0.085
local terms energy: -50.916141
where:
bonds (distance) C4'-P energy: -10.119
bonds (distance) P-C4' energy: -13.051
flat angles C4'-P-C4' energy: -16.116
flat angles P-C4'-P energy: -2.401
tors. eta vs tors. theta energy: -9.229
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: 7
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -78.799703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.799703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.799703 (E_RNA)
where:
Base-Base interactions energy: -27.023
where: short stacking energy: -18.217
Base-Backbone interact. energy: -0.094
local terms energy: -51.683260
where:
bonds (distance) C4'-P energy: -11.437
bonds (distance) P-C4' energy: -17.082
flat angles C4'-P-C4' energy: -10.998
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -2.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -80.915345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.915345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.915345 (E_RNA)
where:
Base-Base interactions energy: -27.718
where: short stacking energy: -22.044
Base-Backbone interact. energy: -0.776
local terms energy: -52.420773
where:
bonds (distance) C4'-P energy: -12.484
bonds (distance) P-C4' energy: -11.626
flat angles C4'-P-C4' energy: -13.103
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -6.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -214.982731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.982731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.982731 (E_RNA)
where:
Base-Base interactions energy: -144.926
where: short stacking energy: -59.462
Base-Backbone interact. energy: -0.432
local terms energy: -69.625044
where:
bonds (distance) C4'-P energy: -16.875
bonds (distance) P-C4' energy: -14.894
flat angles C4'-P-C4' energy: -17.871
flat angles P-C4'-P energy: -7.850
tors. eta vs tors. theta energy: -12.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -176.779775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.779775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.779775 (E_RNA)
where:
Base-Base interactions energy: -101.608
where: short stacking energy: -57.245
Base-Backbone interact. energy: -2.766
local terms energy: -72.405688
where:
bonds (distance) C4'-P energy: -11.804
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -16.017
flat angles P-C4'-P energy: -13.372
tors. eta vs tors. theta energy: -14.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -184.099808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.099808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.099808 (E_RNA)
where:
Base-Base interactions energy: -114.513
where: short stacking energy: -65.168
Base-Backbone interact. energy: 0.172
local terms energy: -69.758398
where:
bonds (distance) C4'-P energy: -11.098
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -8.411
tors. eta vs tors. theta energy: -17.977
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: 10
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -155.179642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.179642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.179642 (E_RNA)
where:
Base-Base interactions energy: -91.797
where: short stacking energy: -47.947
Base-Backbone interact. energy: -0.015
local terms energy: -63.367685
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -15.614
flat angles P-C4'-P energy: -10.423
tors. eta vs tors. theta energy: -11.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -160.170292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.170292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.170292 (E_RNA)
where:
Base-Base interactions energy: -92.204
where: short stacking energy: -54.210
Base-Backbone interact. energy: -0.308
local terms energy: -67.658239
where:
bonds (distance) C4'-P energy: -9.933
bonds (distance) P-C4' energy: -13.828
flat angles C4'-P-C4' energy: -14.677
flat angles P-C4'-P energy: -13.765
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: 6, replica: 9
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -118.772870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.772870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.772870 (E_RNA)
where:
Base-Base interactions energy: -62.617
where: short stacking energy: -34.751
Base-Backbone interact. energy: -0.898
local terms energy: -55.258337
where:
bonds (distance) C4'-P energy: -13.903
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -13.466
flat angles P-C4'-P energy: -9.782
tors. eta vs tors. theta energy: -2.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -92.366993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.366993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.366993 (E_RNA)
where:
Base-Base interactions energy: -35.009
where: short stacking energy: -34.554
Base-Backbone interact. energy: -0.008
local terms energy: -57.349522
where:
bonds (distance) C4'-P energy: -12.461
bonds (distance) P-C4' energy: -11.260
flat angles C4'-P-C4' energy: -13.915
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: -8.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -86.553010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.553010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.553010 (E_RNA)
where:
Base-Base interactions energy: -31.708
where: short stacking energy: -31.708
Base-Backbone interact. energy: -0.028
local terms energy: -54.817609
where:
bonds (distance) C4'-P energy: -14.325
bonds (distance) P-C4' energy: -13.238
flat angles C4'-P-C4' energy: -6.415
flat angles P-C4'-P energy: -7.981
tors. eta vs tors. theta energy: -12.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -81.847309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.847309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.847309 (E_RNA)
where:
Base-Base interactions energy: -35.223
where: short stacking energy: -30.800
Base-Backbone interact. energy: -0.275
local terms energy: -46.349115
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -14.361
flat angles C4'-P-C4' energy: -10.649
flat angles P-C4'-P energy: -5.571
tors. eta vs tors. theta energy: -4.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -69.576905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.576905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.576905 (E_RNA)
where:
Base-Base interactions energy: -24.597
where: short stacking energy: -23.043
Base-Backbone interact. energy: -0.145
local terms energy: -44.834211
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -16.454
flat angles C4'-P-C4' energy: -11.167
flat angles P-C4'-P energy: -5.128
tors. eta vs tors. theta energy: 0.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -217.394355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.394355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.394355 (E_RNA)
where:
Base-Base interactions energy: -149.093
where: short stacking energy: -61.127
Base-Backbone interact. energy: -0.511
local terms energy: -67.790673
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -12.848
flat angles C4'-P-C4' energy: -15.208
flat angles P-C4'-P energy: -11.130
tors. eta vs tors. theta energy: -12.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -164.385024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.385024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.385024 (E_RNA)
where:
Base-Base interactions energy: -95.122
where: short stacking energy: -56.377
Base-Backbone interact. energy: -0.015
local terms energy: -69.248032
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -9.671
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -14.396
tors. eta vs tors. theta energy: -13.051
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: 3, replica: 10
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -178.977667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.977667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.977667 (E_RNA)
where:
Base-Base interactions energy: -117.897
where: short stacking energy: -58.649
Base-Backbone interact. energy: -0.600
local terms energy: -60.480837
where:
bonds (distance) C4'-P energy: -8.681
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -14.346
flat angles P-C4'-P energy: -7.893
tors. eta vs tors. theta energy: -12.875
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: 4, replica: 5
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -172.231657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.231657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.231657 (E_RNA)
where:
Base-Base interactions energy: -108.169
where: short stacking energy: -48.121
Base-Backbone interact. energy: -0.051
local terms energy: -64.012334
where:
bonds (distance) C4'-P energy: -16.554
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -12.896
flat angles P-C4'-P energy: -8.073
tors. eta vs tors. theta energy: -11.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -165.838726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.838726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.838726 (E_RNA)
where:
Base-Base interactions energy: -101.109
where: short stacking energy: -52.110
Base-Backbone interact. energy: 0.297
local terms energy: -65.026207
where:
bonds (distance) C4'-P energy: -17.676
bonds (distance) P-C4' energy: -12.333
flat angles C4'-P-C4' energy: -10.720
flat angles P-C4'-P energy: -13.500
tors. eta vs tors. theta energy: -10.797
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: 9
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -103.220494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.220494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.220494 (E_RNA)
where:
Base-Base interactions energy: -46.772
where: short stacking energy: -42.500
Base-Backbone interact. energy: -0.082
local terms energy: -56.366644
where:
bonds (distance) C4'-P energy: -14.706
bonds (distance) P-C4' energy: -12.229
flat angles C4'-P-C4' energy: -12.836
flat angles P-C4'-P energy: -11.661
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: 7, replica: 7
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -86.082619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.082619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.082619 (E_RNA)
where:
Base-Base interactions energy: -25.253
where: short stacking energy: -24.148
Base-Backbone interact. energy: -0.006
local terms energy: -60.823040
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -15.593
flat angles C4'-P-C4' energy: -10.023
flat angles P-C4'-P energy: -10.507
tors. eta vs tors. theta energy: -8.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -81.341048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.341048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.341048 (E_RNA)
where:
Base-Base interactions energy: -38.125
where: short stacking energy: -32.165
Base-Backbone interact. energy: 0.068
local terms energy: -43.284105
where:
bonds (distance) C4'-P energy: -9.063
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -7.668
flat angles P-C4'-P energy: -6.713
tors. eta vs tors. theta energy: -4.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -81.294764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.294764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.294764 (E_RNA)
where:
Base-Base interactions energy: -36.807
where: short stacking energy: -22.321
Base-Backbone interact. energy: -0.030
local terms energy: -44.457994
where:
bonds (distance) C4'-P energy: -7.142
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -12.125
flat angles P-C4'-P energy: -5.596
tors. eta vs tors. theta energy: -5.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -75.352455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.352455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.352455 (E_RNA)
where:
Base-Base interactions energy: -26.159
where: short stacking energy: -20.127
Base-Backbone interact. energy: -0.180
local terms energy: -49.013283
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -9.833
flat angles C4'-P-C4' energy: -12.681
flat angles P-C4'-P energy: -10.235
tors. eta vs tors. theta energy: -1.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -217.551599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.551599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.551599 (E_RNA)
where:
Base-Base interactions energy: -147.339
where: short stacking energy: -57.346
Base-Backbone interact. energy: -1.999
local terms energy: -68.213860
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -15.098
flat angles P-C4'-P energy: -14.523
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: 2, replica: 8
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -161.191602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.191602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.191602 (E_RNA)
where:
Base-Base interactions energy: -95.821
where: short stacking energy: -51.625
Base-Backbone interact. energy: -0.001
local terms energy: -65.369972
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -12.638
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -11.077
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: 3, replica: 10
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -183.782659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.782659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.782659 (E_RNA)
where:
Base-Base interactions energy: -112.905
where: short stacking energy: -54.876
Base-Backbone interact. energy: -2.493
local terms energy: -68.383804
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -14.665
flat angles C4'-P-C4' energy: -14.713
flat angles P-C4'-P energy: -9.327
tors. eta vs tors. theta energy: -14.875
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: 4, replica: 5
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -173.069324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.069324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.069324 (E_RNA)
where:
Base-Base interactions energy: -117.145
where: short stacking energy: -52.965
Base-Backbone interact. energy: -0.055
local terms energy: -55.868850
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -11.896
flat angles P-C4'-P energy: -6.130
tors. eta vs tors. theta energy: -9.511
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: 81
Temperature: 1.100000
Total energy: -164.768141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.768141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.768141 (E_RNA)
where:
Base-Base interactions energy: -98.927
where: short stacking energy: -53.135
Base-Backbone interact. energy: -0.812
local terms energy: -65.028635
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -17.220
flat angles C4'-P-C4' energy: -12.483
flat angles P-C4'-P energy: -10.544
tors. eta vs tors. theta energy: -11.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -102.140941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.140941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.140941 (E_RNA)
where:
Base-Base interactions energy: -39.156
where: short stacking energy: -39.156
Base-Backbone interact. energy: -0.258
local terms energy: -62.726919
where:
bonds (distance) C4'-P energy: -14.844
bonds (distance) P-C4' energy: -13.022
flat angles C4'-P-C4' energy: -14.819
flat angles P-C4'-P energy: -12.314
tors. eta vs tors. theta energy: -7.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -102.464256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.464256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.464256 (E_RNA)
where:
Base-Base interactions energy: -44.634
where: short stacking energy: -42.211
Base-Backbone interact. energy: 0.254
local terms energy: -58.084180
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -12.029
flat angles P-C4'-P energy: -10.642
tors. eta vs tors. theta energy: -8.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -95.133980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.133980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.133980 (E_RNA)
where:
Base-Base interactions energy: -44.021
where: short stacking energy: -33.309
Base-Backbone interact. energy: 1.801
local terms energy: -52.913930
where:
bonds (distance) C4'-P energy: -9.363
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -8.612
flat angles P-C4'-P energy: -9.203
tors. eta vs tors. theta energy: -9.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -85.518939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.518939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.518939 (E_RNA)
where:
Base-Base interactions energy: -35.615
where: short stacking energy: -30.502
Base-Backbone interact. energy: -0.193
local terms energy: -49.710450
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -17.672
flat angles C4'-P-C4' energy: -8.207
flat angles P-C4'-P energy: -4.412
tors. eta vs tors. theta energy: -6.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -78.224866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.224866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.224866 (E_RNA)
where:
Base-Base interactions energy: -26.730
where: short stacking energy: -26.567
Base-Backbone interact. energy: 0.434
local terms energy: -51.928421
where:
bonds (distance) C4'-P energy: -14.687
bonds (distance) P-C4' energy: -12.563
flat angles C4'-P-C4' energy: -13.162
flat angles P-C4'-P energy: -10.274
tors. eta vs tors. theta energy: -1.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -215.006407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.006407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.006407 (E_RNA)
where:
Base-Base interactions energy: -146.638
where: short stacking energy: -66.788
Base-Backbone interact. energy: -0.414
local terms energy: -67.955008
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -16.220
flat angles C4'-P-C4' energy: -15.225
flat angles P-C4'-P energy: -8.055
tors. eta vs tors. theta energy: -12.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -167.798317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.798317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.798317 (E_RNA)
where:
Base-Base interactions energy: -96.842
where: short stacking energy: -52.338
Base-Backbone interact. energy: -0.054
local terms energy: -70.902490
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -17.153
flat angles P-C4'-P energy: -11.213
tors. eta vs tors. theta energy: -13.862
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: 5
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -193.500978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.500978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.500978 (E_RNA)
where:
Base-Base interactions energy: -118.822
where: short stacking energy: -62.629
Base-Backbone interact. energy: -1.504
local terms energy: -73.175146
where:
bonds (distance) C4'-P energy: -17.601
bonds (distance) P-C4' energy: -15.133
flat angles C4'-P-C4' energy: -10.866
flat angles P-C4'-P energy: -11.046
tors. eta vs tors. theta energy: -18.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -169.706381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.706381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.706381 (E_RNA)
where:
Base-Base interactions energy: -104.838
where: short stacking energy: -54.339
Base-Backbone interact. energy: -1.088
local terms energy: -63.780439
where:
bonds (distance) C4'-P energy: -11.975
bonds (distance) P-C4' energy: -15.605
flat angles C4'-P-C4' energy: -15.665
flat angles P-C4'-P energy: -7.647
tors. eta vs tors. theta energy: -12.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -103.328011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.328011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.328011 (E_RNA)
where:
Base-Base interactions energy: -50.603
where: short stacking energy: -48.481
Base-Backbone interact. energy: -0.208
local terms energy: -52.517386
where:
bonds (distance) C4'-P energy: -11.188
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -13.974
flat angles P-C4'-P energy: -6.006
tors. eta vs tors. theta energy: -7.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -157.827021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.827021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.827021 (E_RNA)
where:
Base-Base interactions energy: -95.922
where: short stacking energy: -54.768
Base-Backbone interact. energy: -0.216
local terms energy: -61.688997
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -16.323
flat angles C4'-P-C4' energy: -11.639
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -10.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -93.653866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.653866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.653866 (E_RNA)
where:
Base-Base interactions energy: -42.153
where: short stacking energy: -39.321
Base-Backbone interact. energy: -0.064
local terms energy: -51.437369
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -14.479
flat angles C4'-P-C4' energy: -9.450
flat angles P-C4'-P energy: -6.539
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: 8, replica: 9
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -86.800868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.800868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.800868 (E_RNA)
where:
Base-Base interactions energy: -36.298
where: short stacking energy: -36.298
Base-Backbone interact. energy: -0.108
local terms energy: -50.394669
where:
bonds (distance) C4'-P energy: -11.829
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -12.043
flat angles P-C4'-P energy: -6.995
tors. eta vs tors. theta energy: -4.200
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: 82
Temperature: 1.300000
Total energy: -86.838596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.838596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.838596 (E_RNA)
where:
Base-Base interactions energy: -38.736
where: short stacking energy: -34.864
Base-Backbone interact. energy: -0.171
local terms energy: -47.931047
where:
bonds (distance) C4'-P energy: -9.706
bonds (distance) P-C4' energy: -14.650
flat angles C4'-P-C4' energy: -13.162
flat angles P-C4'-P energy: -7.785
tors. eta vs tors. theta energy: -2.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -87.748742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.748742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.748742 (E_RNA)
where:
Base-Base interactions energy: -41.866
where: short stacking energy: -35.657
Base-Backbone interact. energy: -0.091
local terms energy: -45.792255
where:
bonds (distance) C4'-P energy: -4.680
bonds (distance) P-C4' energy: -14.390
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -10.079
tors. eta vs tors. theta energy: -1.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -215.551154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.551154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.551154 (E_RNA)
where:
Base-Base interactions energy: -143.611
where: short stacking energy: -51.068
Base-Backbone interact. energy: -2.760
local terms energy: -69.180529
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -12.827
flat angles P-C4'-P energy: -14.529
tors. eta vs tors. theta energy: -11.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -194.526803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.526803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.526803 (E_RNA)
where:
Base-Base interactions energy: -122.053
where: short stacking energy: -61.177
Base-Backbone interact. energy: 0.180
local terms energy: -72.653503
where:
bonds (distance) C4'-P energy: -14.145
bonds (distance) P-C4' energy: -17.342
flat angles C4'-P-C4' energy: -16.301
flat angles P-C4'-P energy: -10.905
tors. eta vs tors. theta energy: -13.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -167.073514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.073514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.073514 (E_RNA)
where:
Base-Base interactions energy: -103.402
where: short stacking energy: -58.641
Base-Backbone interact. energy: -0.382
local terms energy: -63.289149
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -16.962
flat angles C4'-P-C4' energy: -8.248
flat angles P-C4'-P energy: -8.797
tors. eta vs tors. theta energy: -14.653
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: 10
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -171.450968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.450968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.450968 (E_RNA)
where:
Base-Base interactions energy: -106.074
where: short stacking energy: -56.250
Base-Backbone interact. energy: -0.930
local terms energy: -64.446952
where:
bonds (distance) C4'-P energy: -10.012
bonds (distance) P-C4' energy: -16.655
flat angles C4'-P-C4' energy: -14.782
flat angles P-C4'-P energy: -6.800
tors. eta vs tors. theta energy: -16.198
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: 7
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -127.930422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.930422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.930422 (E_RNA)
where:
Base-Base interactions energy: -68.851
where: short stacking energy: -41.537
Base-Backbone interact. energy: -0.468
local terms energy: -58.610665
where:
bonds (distance) C4'-P energy: -10.510
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -16.608
flat angles P-C4'-P energy: -10.364
tors. eta vs tors. theta energy: -5.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -148.837994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.837994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.837994 (E_RNA)
where:
Base-Base interactions energy: -83.677
where: short stacking energy: -45.953
Base-Backbone interact. energy: -0.115
local terms energy: -65.046235
where:
bonds (distance) C4'-P energy: -13.377
bonds (distance) P-C4' energy: -14.517
flat angles C4'-P-C4' energy: -17.334
flat angles P-C4'-P energy: -10.291
tors. eta vs tors. theta energy: -9.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -92.761606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.761606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.761606 (E_RNA)
where:
Base-Base interactions energy: -41.012
where: short stacking energy: -40.749
Base-Backbone interact. energy: -0.080
local terms energy: -51.669143
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -14.282
flat angles C4'-P-C4' energy: -13.706
flat angles P-C4'-P energy: -7.229
tors. eta vs tors. theta energy: -2.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -88.540794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.540794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.540794 (E_RNA)
where:
Base-Base interactions energy: -34.232
where: short stacking energy: -34.232
Base-Backbone interact. energy: 1.400
local terms energy: -55.708831
where:
bonds (distance) C4'-P energy: -11.192
bonds (distance) P-C4' energy: -13.447
flat angles C4'-P-C4' energy: -13.138
flat angles P-C4'-P energy: -10.398
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: 83
Temperature: 1.300000
Total energy: -83.494462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.494462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.494462 (E_RNA)
where:
Base-Base interactions energy: -36.158
where: short stacking energy: -27.038
Base-Backbone interact. energy: 0.021
local terms energy: -47.357092
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -14.318
flat angles P-C4'-P energy: 2.511
tors. eta vs tors. theta energy: -5.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -83.112269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.112269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.112269 (E_RNA)
where:
Base-Base interactions energy: -25.181
where: short stacking energy: -24.445
Base-Backbone interact. energy: -0.067
local terms energy: -57.864002
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -14.969
flat angles C4'-P-C4' energy: -13.637
flat angles P-C4'-P energy: -9.682
tors. eta vs tors. theta energy: -4.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -211.362082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.362082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.362082 (E_RNA)
where:
Base-Base interactions energy: -147.818
where: short stacking energy: -61.361
Base-Backbone interact. energy: -0.427
local terms energy: -63.117808
where:
bonds (distance) C4'-P energy: -12.936
bonds (distance) P-C4' energy: -11.225
flat angles C4'-P-C4' energy: -15.263
flat angles P-C4'-P energy: -11.446
tors. eta vs tors. theta energy: -12.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -195.298295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.298295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.298295 (E_RNA)
where:
Base-Base interactions energy: -132.585
where: short stacking energy: -56.400
Base-Backbone interact. energy: -0.055
local terms energy: -62.658207
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -14.037
flat angles C4'-P-C4' energy: -12.094
flat angles P-C4'-P energy: -4.831
tors. eta vs tors. theta energy: -15.276
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: 3, replica: 8
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -165.676215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.676215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.676215 (E_RNA)
where:
Base-Base interactions energy: -105.193
where: short stacking energy: -50.478
Base-Backbone interact. energy: -0.010
local terms energy: -60.473425
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -13.916
flat angles P-C4'-P energy: -5.002
tors. eta vs tors. theta energy: -12.825
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: 4, replica: 10
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -169.477393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.477393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.477393 (E_RNA)
where:
Base-Base interactions energy: -100.085
where: short stacking energy: -63.566
Base-Backbone interact. energy: -0.105
local terms energy: -69.286704
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -13.570
flat angles C4'-P-C4' energy: -16.064
flat angles P-C4'-P energy: -8.152
tors. eta vs tors. theta energy: -16.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -155.526976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.526976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.526976 (E_RNA)
where:
Base-Base interactions energy: -85.733
where: short stacking energy: -45.035
Base-Backbone interact. energy: -0.023
local terms energy: -69.770918
where:
bonds (distance) C4'-P energy: -16.934
bonds (distance) P-C4' energy: -17.342
flat angles C4'-P-C4' energy: -13.448
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -11.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -105.721163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.721163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.721163 (E_RNA)
where:
Base-Base interactions energy: -48.348
where: short stacking energy: -28.200
Base-Backbone interact. energy: -0.134
local terms energy: -57.239063
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -15.423
flat angles C4'-P-C4' energy: -16.028
flat angles P-C4'-P energy: -12.774
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: 9
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -95.122500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.122500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.122500 (E_RNA)
where:
Base-Base interactions energy: -47.737
where: short stacking energy: -44.855
Base-Backbone interact. energy: -0.100
local terms energy: -47.286018
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -12.260
flat angles C4'-P-C4' energy: -13.349
flat angles P-C4'-P energy: -3.192
tors. eta vs tors. theta energy: -5.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -83.595239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.595239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.595239 (E_RNA)
where:
Base-Base interactions energy: -33.206
where: short stacking energy: -32.804
Base-Backbone interact. energy: -0.054
local terms energy: -50.335312
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -14.914
flat angles C4'-P-C4' energy: -11.516
flat angles P-C4'-P energy: -4.467
tors. eta vs tors. theta energy: -5.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -93.628949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.628949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.628949 (E_RNA)
where:
Base-Base interactions energy: -32.746
where: short stacking energy: -30.433
Base-Backbone interact. energy: -0.286
local terms energy: -60.597222
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -17.068
flat angles P-C4'-P energy: -8.012
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: 10, replica: 3
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -100.508244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.508244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.508244 (E_RNA)
where:
Base-Base interactions energy: -52.296
where: short stacking energy: -41.208
Base-Backbone interact. energy: -0.322
local terms energy: -47.890342
where:
bonds (distance) C4'-P energy: -13.089
bonds (distance) P-C4' energy: -10.695
flat angles C4'-P-C4' energy: -14.530
flat angles P-C4'-P energy: -4.243
tors. eta vs tors. theta energy: -5.333
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: 85
Temperature: 0.900000
Total energy: -214.256044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.256044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.256044 (E_RNA)
where:
Base-Base interactions energy: -144.193
where: short stacking energy: -61.201
Base-Backbone interact. energy: -0.090
local terms energy: -69.972943
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -12.740
flat angles P-C4'-P energy: -13.348
tors. eta vs tors. theta energy: -14.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -193.537167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.537167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.537167 (E_RNA)
where:
Base-Base interactions energy: -116.340
where: short stacking energy: -69.620
Base-Backbone interact. energy: -0.034
local terms energy: -77.162912
where:
bonds (distance) C4'-P energy: -16.660
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -16.604
flat angles P-C4'-P energy: -10.941
tors. eta vs tors. theta energy: -19.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -158.452340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.452340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.452340 (E_RNA)
where:
Base-Base interactions energy: -100.607
where: short stacking energy: -52.775
Base-Backbone interact. energy: -0.001
local terms energy: -57.844284
where:
bonds (distance) C4'-P energy: -16.153
bonds (distance) P-C4' energy: -13.919
flat angles C4'-P-C4' energy: -11.939
flat angles P-C4'-P energy: -4.733
tors. eta vs tors. theta energy: -11.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -177.105297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.105297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.105297 (E_RNA)
where:
Base-Base interactions energy: -110.067
where: short stacking energy: -57.059
Base-Backbone interact. energy: -0.101
local terms energy: -66.936552
where:
bonds (distance) C4'-P energy: -9.734
bonds (distance) P-C4' energy: -14.010
flat angles C4'-P-C4' energy: -16.317
flat angles P-C4'-P energy: -11.608
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: 5, replica: 4
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -160.292820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.292820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.292820 (E_RNA)
where:
Base-Base interactions energy: -93.478
where: short stacking energy: -50.965
Base-Backbone interact. energy: -0.129
local terms energy: -66.685708
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -16.011
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: -10.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -105.465825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.465825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.465825 (E_RNA)
where:
Base-Base interactions energy: -53.945
where: short stacking energy: -44.953
Base-Backbone interact. energy: -0.261
local terms energy: -51.259991
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -15.323
flat angles P-C4'-P energy: -2.176
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: 7, replica: 7
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -87.613143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.613143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.613143 (E_RNA)
where:
Base-Base interactions energy: -35.084
where: short stacking energy: -25.909
Base-Backbone interact. energy: 0.214
local terms energy: -52.742586
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -12.743
flat angles P-C4'-P energy: -5.306
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: 8, replica: 1
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -93.681272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.681272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.681272 (E_RNA)
where:
Base-Base interactions energy: -33.673
where: short stacking energy: -27.640
Base-Backbone interact. energy: -1.223
local terms energy: -58.785156
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -14.739
flat angles P-C4'-P energy: -8.186
tors. eta vs tors. theta energy: -3.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -83.972503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.972503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.972503 (E_RNA)
where:
Base-Base interactions energy: -30.983
where: short stacking energy: -31.488
Base-Backbone interact. energy: -0.208
local terms energy: -52.781192
where:
bonds (distance) C4'-P energy: -9.486
bonds (distance) P-C4' energy: -15.257
flat angles C4'-P-C4' energy: -12.462
flat angles P-C4'-P energy: -9.147
tors. eta vs tors. theta energy: -6.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -75.073485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.073485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.073485 (E_RNA)
where:
Base-Base interactions energy: -29.183
where: short stacking energy: -26.289
Base-Backbone interact. energy: -1.533
local terms energy: -44.357928
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -9.823
flat angles C4'-P-C4' energy: -15.909
flat angles P-C4'-P energy: -4.132
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: 1, replica: 5
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -207.565221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.565221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.565221 (E_RNA)
where:
Base-Base interactions energy: -135.123
where: short stacking energy: -64.318
Base-Backbone interact. energy: -0.017
local terms energy: -72.425611
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -10.868
flat angles C4'-P-C4' energy: -15.785
flat angles P-C4'-P energy: -11.651
tors. eta vs tors. theta energy: -19.497
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: 2
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -210.031514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.031514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.031514 (E_RNA)
where:
Base-Base interactions energy: -145.190
where: short stacking energy: -57.014
Base-Backbone interact. energy: 0.060
local terms energy: -64.902253
where:
bonds (distance) C4'-P energy: -17.299
bonds (distance) P-C4' energy: -12.128
flat angles C4'-P-C4' energy: -14.426
flat angles P-C4'-P energy: -9.009
tors. eta vs tors. theta energy: -12.040
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: 10
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -168.493855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.493855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.493855 (E_RNA)
where:
Base-Base interactions energy: -94.624
where: short stacking energy: -55.208
Base-Backbone interact. energy: -0.098
local terms energy: -73.772055
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -14.180
flat angles C4'-P-C4' energy: -17.409
flat angles P-C4'-P energy: -10.658
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: 4, replica: 8
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -166.301403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.301403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.301403 (E_RNA)
where:
Base-Base interactions energy: -96.278
where: short stacking energy: -54.061
Base-Backbone interact. energy: -0.008
local terms energy: -70.015188
where:
bonds (distance) C4'-P energy: -9.001
bonds (distance) P-C4' energy: -17.739
flat angles C4'-P-C4' energy: -16.437
flat angles P-C4'-P energy: -11.017
tors. eta vs tors. theta energy: -15.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -166.280176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.280176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.280176 (E_RNA)
where:
Base-Base interactions energy: -102.698
where: short stacking energy: -57.286
Base-Backbone interact. energy: -0.093
local terms energy: -63.489881
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -12.263
flat angles C4'-P-C4' energy: -11.201
flat angles P-C4'-P energy: -9.895
tors. eta vs tors. theta energy: -15.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -100.207901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.207901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.207901 (E_RNA)
where:
Base-Base interactions energy: -48.231
where: short stacking energy: -37.554
Base-Backbone interact. energy: -0.021
local terms energy: -51.955997
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -18.028
flat angles C4'-P-C4' energy: -10.000
flat angles P-C4'-P energy: -1.791
tors. eta vs tors. theta energy: -8.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -107.039151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.039151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.039151 (E_RNA)
where:
Base-Base interactions energy: -61.452
where: short stacking energy: -30.727
Base-Backbone interact. energy: -0.205
local terms energy: -45.382494
where:
bonds (distance) C4'-P energy: -10.951
bonds (distance) P-C4' energy: -11.328
flat angles C4'-P-C4' energy: -11.289
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: -1.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -83.870932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.870932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.870932 (E_RNA)
where:
Base-Base interactions energy: -34.493
where: short stacking energy: -34.448
Base-Backbone interact. energy: -0.107
local terms energy: -49.270503
where:
bonds (distance) C4'-P energy: -11.849
bonds (distance) P-C4' energy: -13.246
flat angles C4'-P-C4' energy: -13.291
flat angles P-C4'-P energy: -4.938
tors. eta vs tors. theta energy: -5.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -85.940956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.940956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.940956 (E_RNA)
where:
Base-Base interactions energy: -32.526
where: short stacking energy: -32.092
Base-Backbone interact. energy: -0.236
local terms energy: -53.179363
where:
bonds (distance) C4'-P energy: -11.234
bonds (distance) P-C4' energy: -16.889
flat angles C4'-P-C4' energy: -13.437
flat angles P-C4'-P energy: -7.502
tors. eta vs tors. theta energy: -4.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -71.691884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.691884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.691884 (E_RNA)
where:
Base-Base interactions energy: -28.221
where: short stacking energy: -25.428
Base-Backbone interact. energy: 0.995
local terms energy: -44.464993
where:
bonds (distance) C4'-P energy: -12.112
bonds (distance) P-C4' energy: -14.743
flat angles C4'-P-C4' energy: -12.821
flat angles P-C4'-P energy: -7.156
tors. eta vs tors. theta energy: 2.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -200.147274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.147274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.147274 (E_RNA)
where:
Base-Base interactions energy: -133.689
where: short stacking energy: -57.204
Base-Backbone interact. energy: -0.583
local terms energy: -65.875409
where:
bonds (distance) C4'-P energy: -9.478
bonds (distance) P-C4' energy: -17.634
flat angles C4'-P-C4' energy: -12.507
flat angles P-C4'-P energy: -12.775
tors. eta vs tors. theta energy: -13.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -211.984691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.984691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.984691 (E_RNA)
where:
Base-Base interactions energy: -137.997
where: short stacking energy: -61.895
Base-Backbone interact. energy: -1.779
local terms energy: -72.208543
where:
bonds (distance) C4'-P energy: -16.570
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -15.821
flat angles P-C4'-P energy: -12.104
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: 3, replica: 10
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -173.809840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.809840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.809840 (E_RNA)
where:
Base-Base interactions energy: -110.492
where: short stacking energy: -53.933
Base-Backbone interact. energy: -0.165
local terms energy: -63.152582
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -17.645
flat angles P-C4'-P energy: -3.121
tors. eta vs tors. theta energy: -11.725
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: 4
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -165.741664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.741664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.741664 (E_RNA)
where:
Base-Base interactions energy: -101.275
where: short stacking energy: -54.347
Base-Backbone interact. energy: -0.646
local terms energy: -63.820484
where:
bonds (distance) C4'-P energy: -16.956
bonds (distance) P-C4' energy: -12.862
flat angles C4'-P-C4' energy: -12.653
flat angles P-C4'-P energy: -11.301
tors. eta vs tors. theta energy: -10.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -166.843037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.843037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.843037 (E_RNA)
where:
Base-Base interactions energy: -97.759
where: short stacking energy: -62.389
Base-Backbone interact. energy: -1.018
local terms energy: -68.066659
where:
bonds (distance) C4'-P energy: -9.110
bonds (distance) P-C4' energy: -15.882
flat angles C4'-P-C4' energy: -17.073
flat angles P-C4'-P energy: -10.659
tors. eta vs tors. theta energy: -15.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -100.096118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.096118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.096118 (E_RNA)
where:
Base-Base interactions energy: -50.265
where: short stacking energy: -44.542
Base-Backbone interact. energy: -0.026
local terms energy: -49.805366
where:
bonds (distance) C4'-P energy: -7.896
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -12.904
flat angles P-C4'-P energy: -5.110
tors. eta vs tors. theta energy: -9.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -99.889997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.889997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.889997 (E_RNA)
where:
Base-Base interactions energy: -37.872
where: short stacking energy: -29.241
Base-Backbone interact. energy: -0.710
local terms energy: -61.307803
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -10.243
flat angles C4'-P-C4' energy: -15.503
flat angles P-C4'-P energy: -12.938
tors. eta vs tors. theta energy: -7.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -86.878260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.878260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.878260 (E_RNA)
where:
Base-Base interactions energy: -34.760
where: short stacking energy: -21.764
Base-Backbone interact. energy: 0.756
local terms energy: -52.874021
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -17.546
flat angles C4'-P-C4' energy: -11.497
flat angles P-C4'-P energy: -7.778
tors. eta vs tors. theta energy: -1.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -81.788780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.788780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.788780 (E_RNA)
where:
Base-Base interactions energy: -29.035
where: short stacking energy: -29.035
Base-Backbone interact. energy: -0.003
local terms energy: -52.750051
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -18.376
flat angles C4'-P-C4' energy: -12.498
flat angles P-C4'-P energy: -4.791
tors. eta vs tors. theta energy: -3.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -80.241572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.241572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.241572 (E_RNA)
where:
Base-Base interactions energy: -31.423
where: short stacking energy: -25.137
Base-Backbone interact. energy: -0.106
local terms energy: -48.712553
where:
bonds (distance) C4'-P energy: -15.453
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -12.702
flat angles P-C4'-P energy: -7.040
tors. eta vs tors. theta energy: -0.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -215.041469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.041469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.041469 (E_RNA)
where:
Base-Base interactions energy: -146.653
where: short stacking energy: -68.279
Base-Backbone interact. energy: -1.703
local terms energy: -66.685075
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -15.199
flat angles C4'-P-C4' energy: -15.498
flat angles P-C4'-P energy: -4.855
tors. eta vs tors. theta energy: -14.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -193.351770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.351770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.351770 (E_RNA)
where:
Base-Base interactions energy: -124.641
where: short stacking energy: -49.953
Base-Backbone interact. energy: -0.688
local terms energy: -68.022711
where:
bonds (distance) C4'-P energy: -17.174
bonds (distance) P-C4' energy: -14.977
flat angles C4'-P-C4' energy: -14.887
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: -10.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -176.667801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.667801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.667801 (E_RNA)
where:
Base-Base interactions energy: -112.602
where: short stacking energy: -51.156
Base-Backbone interact. energy: -0.162
local terms energy: -63.903900
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -16.761
flat angles C4'-P-C4' energy: -11.675
flat angles P-C4'-P energy: -8.107
tors. eta vs tors. theta energy: -12.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -153.286975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.286975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.286975 (E_RNA)
where:
Base-Base interactions energy: -91.709
where: short stacking energy: -54.089
Base-Backbone interact. energy: -0.095
local terms energy: -61.482605
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -16.255
flat angles C4'-P-C4' energy: -15.450
flat angles P-C4'-P energy: -3.563
tors. eta vs tors. theta energy: -12.298
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: 1
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -111.696015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.696015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.696015 (E_RNA)
where:
Base-Base interactions energy: -48.164
where: short stacking energy: -36.513
Base-Backbone interact. energy: -0.193
local terms energy: -63.339307
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -16.316
flat angles P-C4'-P energy: -5.020
tors. eta vs tors. theta energy: -9.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -146.440513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.440513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.440513 (E_RNA)
where:
Base-Base interactions energy: -90.959
where: short stacking energy: -53.526
Base-Backbone interact. energy: -0.161
local terms energy: -55.320148
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -12.499
flat angles C4'-P-C4' energy: -13.451
flat angles P-C4'-P energy: -5.705
tors. eta vs tors. theta energy: -9.215
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: 3
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -100.458229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.458229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.458229 (E_RNA)
where:
Base-Base interactions energy: -44.666
where: short stacking energy: -29.403
Base-Backbone interact. energy: 0.018
local terms energy: -55.810128
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -12.253
flat angles C4'-P-C4' energy: -15.755
flat angles P-C4'-P energy: -10.872
tors. eta vs tors. theta energy: -1.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -88.927005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.927005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.927005 (E_RNA)
where:
Base-Base interactions energy: -33.234
where: short stacking energy: -28.848
Base-Backbone interact. energy: -0.118
local terms energy: -55.575094
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -13.795
flat angles C4'-P-C4' energy: -15.164
flat angles P-C4'-P energy: -1.918
tors. eta vs tors. theta energy: -8.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -83.174587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.174587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.174587 (E_RNA)
where:
Base-Base interactions energy: -28.683
where: short stacking energy: -28.683
Base-Backbone interact. energy: -0.175
local terms energy: -54.316059
where:
bonds (distance) C4'-P energy: -11.428
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -7.812
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: 10, replica: 7
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -80.955667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.955667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.955667 (E_RNA)
where:
Base-Base interactions energy: -32.379
where: short stacking energy: -29.325
Base-Backbone interact. energy: -0.076
local terms energy: -48.499906
where:
bonds (distance) C4'-P energy: -13.239
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -12.536
flat angles P-C4'-P energy: -4.866
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: 1, replica: 2
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -221.668049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.668049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.668049 (E_RNA)
where:
Base-Base interactions energy: -164.311
where: short stacking energy: -58.171
Base-Backbone interact. energy: -0.906
local terms energy: -56.451454
where:
bonds (distance) C4'-P energy: -6.509
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -12.528
flat angles P-C4'-P energy: -11.931
tors. eta vs tors. theta energy: -11.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -168.805830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.805830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.805830 (E_RNA)
where:
Base-Base interactions energy: -97.169
where: short stacking energy: -54.871
Base-Backbone interact. energy: -0.525
local terms energy: -71.112357
where:
bonds (distance) C4'-P energy: -14.416
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -14.133
flat angles P-C4'-P energy: -8.395
tors. eta vs tors. theta energy: -15.954
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: 5
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -196.128386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.128386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.128386 (E_RNA)
where:
Base-Base interactions energy: -125.999
where: short stacking energy: -57.672
Base-Backbone interact. energy: 0.190
local terms energy: -70.319404
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -16.853
flat angles C4'-P-C4' energy: -11.404
flat angles P-C4'-P energy: -10.958
tors. eta vs tors. theta energy: -18.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -173.029308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.029308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.029308 (E_RNA)
where:
Base-Base interactions energy: -107.233
where: short stacking energy: -51.459
Base-Backbone interact. energy: -0.005
local terms energy: -65.791054
where:
bonds (distance) C4'-P energy: -15.418
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -14.486
flat angles P-C4'-P energy: -8.595
tors. eta vs tors. theta energy: -11.291
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: 5, replica: 1
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -107.546249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.546249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.546249 (E_RNA)
where:
Base-Base interactions energy: -56.034
where: short stacking energy: -44.818
Base-Backbone interact. energy: 0.011
local terms energy: -51.522643
where:
bonds (distance) C4'-P energy: -11.214
bonds (distance) P-C4' energy: -13.207
flat angles C4'-P-C4' energy: -13.487
flat angles P-C4'-P energy: -6.388
tors. eta vs tors. theta energy: -7.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -106.585171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.585171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.585171 (E_RNA)
where:
Base-Base interactions energy: -48.751
where: short stacking energy: -39.723
Base-Backbone interact. energy: -0.392
local terms energy: -57.442176
where:
bonds (distance) C4'-P energy: -13.297
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -13.579
flat angles P-C4'-P energy: -8.324
tors. eta vs tors. theta energy: -5.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -110.609918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.609918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.609918 (E_RNA)
where:
Base-Base interactions energy: -47.506
where: short stacking energy: -43.882
Base-Backbone interact. energy: -0.127
local terms energy: -62.976588
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -7.200
tors. eta vs tors. theta energy: -10.367
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: 8, replica: 6
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -84.211528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.211528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.211528 (E_RNA)
where:
Base-Base interactions energy: -20.559
where: short stacking energy: -20.529
Base-Backbone interact. energy: -0.024
local terms energy: -63.627705
where:
bonds (distance) C4'-P energy: -13.334
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -15.687
flat angles P-C4'-P energy: -10.016
tors. eta vs tors. theta energy: -6.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -86.897589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.897589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.897589 (E_RNA)
where:
Base-Base interactions energy: -31.505
where: short stacking energy: -28.934
Base-Backbone interact. energy: 3.396
local terms energy: -58.788278
where:
bonds (distance) C4'-P energy: -17.390
bonds (distance) P-C4' energy: -9.643
flat angles C4'-P-C4' energy: -14.539
flat angles P-C4'-P energy: -10.194
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: 10, replica: 7
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -79.200606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.200606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.200606 (E_RNA)
where:
Base-Base interactions energy: -32.240
where: short stacking energy: -32.236
Base-Backbone interact. energy: 0.669
local terms energy: -47.629166
where:
bonds (distance) C4'-P energy: -9.436
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -11.535
flat angles P-C4'-P energy: -7.443
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: 1, replica: 2
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -209.178345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.178345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.178345 (E_RNA)
where:
Base-Base interactions energy: -146.050
where: short stacking energy: -58.331
Base-Backbone interact. energy: -0.148
local terms energy: -62.979787
where:
bonds (distance) C4'-P energy: -17.059
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -13.720
flat angles P-C4'-P energy: -7.063
tors. eta vs tors. theta energy: -10.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -168.826362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.826362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.826362 (E_RNA)
where:
Base-Base interactions energy: -97.394
where: short stacking energy: -57.101
Base-Backbone interact. energy: -0.255
local terms energy: -71.177676
where:
bonds (distance) C4'-P energy: -13.223
bonds (distance) P-C4' energy: -17.109
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -8.770
tors. eta vs tors. theta energy: -17.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -203.731953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.731953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.731953 (E_RNA)
where:
Base-Base interactions energy: -140.736
where: short stacking energy: -62.077
Base-Backbone interact. energy: -0.516
local terms energy: -62.480075
where:
bonds (distance) C4'-P energy: -11.382
bonds (distance) P-C4' energy: -9.930
flat angles C4'-P-C4' energy: -16.742
flat angles P-C4'-P energy: -8.268
tors. eta vs tors. theta energy: -16.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -182.000709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.000709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.000709 (E_RNA)
where:
Base-Base interactions energy: -111.429
where: short stacking energy: -59.496
Base-Backbone interact. energy: -0.104
local terms energy: -70.467601
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -11.952
flat angles C4'-P-C4' energy: -17.145
flat angles P-C4'-P energy: -9.945
tors. eta vs tors. theta energy: -17.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -101.370290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.370290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.370290 (E_RNA)
where:
Base-Base interactions energy: -43.310
where: short stacking energy: -43.141
Base-Backbone interact. energy: -0.151
local terms energy: -57.909074
where:
bonds (distance) C4'-P energy: -16.122
bonds (distance) P-C4' energy: -15.553
flat angles C4'-P-C4' energy: -12.177
flat angles P-C4'-P energy: -5.199
tors. eta vs tors. theta energy: -8.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -134.257045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.257045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.257045 (E_RNA)
where:
Base-Base interactions energy: -75.633
where: short stacking energy: -37.631
Base-Backbone interact. energy: -0.102
local terms energy: -58.521998
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -13.245
flat angles P-C4'-P energy: -8.964
tors. eta vs tors. theta energy: -7.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -98.740724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.740724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.740724 (E_RNA)
where:
Base-Base interactions energy: -35.579
where: short stacking energy: -32.256
Base-Backbone interact. energy: -0.458
local terms energy: -62.703347
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -16.979
flat angles C4'-P-C4' energy: -13.450
flat angles P-C4'-P energy: -9.411
tors. eta vs tors. theta energy: -8.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -99.991618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.991618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.991618 (E_RNA)
where:
Base-Base interactions energy: -41.000
where: short stacking energy: -39.793
Base-Backbone interact. energy: -1.213
local terms energy: -57.778661
where:
bonds (distance) C4'-P energy: -16.309
bonds (distance) P-C4' energy: -10.515
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -10.545
tors. eta vs tors. theta energy: -7.302
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: 7
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -78.680262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.680262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.680262 (E_RNA)
where:
Base-Base interactions energy: -31.599
where: short stacking energy: -29.550
Base-Backbone interact. energy: -0.334
local terms energy: -46.748174
where:
bonds (distance) C4'-P energy: -6.927
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -13.256
flat angles P-C4'-P energy: -6.897
tors. eta vs tors. theta energy: -4.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -85.886084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.886084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.886084 (E_RNA)
where:
Base-Base interactions energy: -33.753
where: short stacking energy: -30.429
Base-Backbone interact. energy: -0.290
local terms energy: -51.843176
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -8.559
flat angles P-C4'-P energy: -5.814
tors. eta vs tors. theta energy: -7.003
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: 2
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -215.005314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.005314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.005314 (E_RNA)
where:
Base-Base interactions energy: -149.214
where: short stacking energy: -55.436
Base-Backbone interact. energy: -0.247
local terms energy: -65.544915
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -17.216
flat angles C4'-P-C4' energy: -9.690
flat angles P-C4'-P energy: -9.669
tors. eta vs tors. theta energy: -12.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -196.488731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.488731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.488731 (E_RNA)
where:
Base-Base interactions energy: -122.802
where: short stacking energy: -55.796
Base-Backbone interact. energy: -0.059
local terms energy: -73.627832
where:
bonds (distance) C4'-P energy: -16.782
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -15.024
flat angles P-C4'-P energy: -11.873
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: 3, replica: 10
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -166.805918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.805918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.805918 (E_RNA)
where:
Base-Base interactions energy: -95.730
where: short stacking energy: -55.844
Base-Backbone interact. energy: -0.068
local terms energy: -71.007792
where:
bonds (distance) C4'-P energy: -16.555
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -14.113
flat angles P-C4'-P energy: -6.409
tors. eta vs tors. theta energy: -17.592
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: 4, replica: 4
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -168.368976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.368976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.368976 (E_RNA)
where:
Base-Base interactions energy: -96.085
where: short stacking energy: -62.046
Base-Backbone interact. energy: 0.280
local terms energy: -72.564184
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -14.418
flat angles C4'-P-C4' energy: -15.588
flat angles P-C4'-P energy: -8.229
tors. eta vs tors. theta energy: -17.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -92.336128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.336128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.336128 (E_RNA)
where:
Base-Base interactions energy: -31.888
where: short stacking energy: -30.308
Base-Backbone interact. energy: -0.210
local terms energy: -60.237939
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -17.316
flat angles C4'-P-C4' energy: -13.105
flat angles P-C4'-P energy: -13.065
tors. eta vs tors. theta energy: -2.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -96.769786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.769786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.769786 (E_RNA)
where:
Base-Base interactions energy: -35.540
where: short stacking energy: -28.060
Base-Backbone interact. energy: -0.036
local terms energy: -61.193190
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -15.549
flat angles P-C4'-P energy: -7.802
tors. eta vs tors. theta energy: -5.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -99.185196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.185196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.185196 (E_RNA)
where:
Base-Base interactions energy: -53.042
where: short stacking energy: -34.497
Base-Backbone interact. energy: -0.007
local terms energy: -46.136329
where:
bonds (distance) C4'-P energy: -9.331
bonds (distance) P-C4' energy: -13.021
flat angles C4'-P-C4' energy: -9.925
flat angles P-C4'-P energy: -8.889
tors. eta vs tors. theta energy: -4.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -89.264046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.264046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.264046 (E_RNA)
where:
Base-Base interactions energy: -43.683
where: short stacking energy: -31.404
Base-Backbone interact. energy: -0.482
local terms energy: -45.099038
where:
bonds (distance) C4'-P energy: -11.681
bonds (distance) P-C4' energy: -11.964
flat angles C4'-P-C4' energy: -10.859
flat angles P-C4'-P energy: -3.124
tors. eta vs tors. theta energy: -7.471
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: 3
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -89.886927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.886927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.886927 (E_RNA)
where:
Base-Base interactions energy: -34.062
where: short stacking energy: -34.062
Base-Backbone interact. energy: 0.103
local terms energy: -55.927516
where:
bonds (distance) C4'-P energy: -14.221
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -12.126
flat angles P-C4'-P energy: -9.801
tors. eta vs tors. theta energy: -5.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -92.093720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.093720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.093720 (E_RNA)
where:
Base-Base interactions energy: -41.048
where: short stacking energy: -31.653
Base-Backbone interact. energy: 0.186
local terms energy: -51.230921
where:
bonds (distance) C4'-P energy: -11.854
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -14.056
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: 1.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -211.179063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.179063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.179063 (E_RNA)
where:
Base-Base interactions energy: -144.639
where: short stacking energy: -49.199
Base-Backbone interact. energy: -0.100
local terms energy: -66.440276
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -14.687
flat angles P-C4'-P energy: -9.231
tors. eta vs tors. theta energy: -11.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -195.413962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.413962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.413962 (E_RNA)
where:
Base-Base interactions energy: -125.599
where: short stacking energy: -53.431
Base-Backbone interact. energy: -0.380
local terms energy: -69.435115
where:
bonds (distance) C4'-P energy: -15.457
bonds (distance) P-C4' energy: -13.215
flat angles C4'-P-C4' energy: -17.504
flat angles P-C4'-P energy: -7.401
tors. eta vs tors. theta energy: -15.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -174.454187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.454187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.454187 (E_RNA)
where:
Base-Base interactions energy: -94.405
where: short stacking energy: -61.714
Base-Backbone interact. energy: -0.925
local terms energy: -79.123879
where:
bonds (distance) C4'-P energy: -13.662
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -17.135
flat angles P-C4'-P energy: -13.037
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: 4, replica: 10
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -167.573213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.573213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.573213 (E_RNA)
where:
Base-Base interactions energy: -95.256
where: short stacking energy: -56.306
Base-Backbone interact. energy: -0.014
local terms energy: -72.303028
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -14.802
flat angles P-C4'-P energy: -11.700
tors. eta vs tors. theta energy: -13.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -106.370032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.370032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.370032 (E_RNA)
where:
Base-Base interactions energy: -53.637
where: short stacking energy: -45.816
Base-Backbone interact. energy: -0.249
local terms energy: -52.484342
where:
bonds (distance) C4'-P energy: -9.807
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -8.283
flat angles P-C4'-P energy: -6.828
tors. eta vs tors. theta energy: -9.571
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: 8
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -94.248835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.248835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.248835 (E_RNA)
where:
Base-Base interactions energy: -37.941
where: short stacking energy: -26.459
Base-Backbone interact. energy: -0.500
local terms energy: -55.808592
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -15.159
flat angles P-C4'-P energy: -10.502
tors. eta vs tors. theta energy: 0.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -93.320503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.320503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.320503 (E_RNA)
where:
Base-Base interactions energy: -47.340
where: short stacking energy: -21.263
Base-Backbone interact. energy: -0.116
local terms energy: -45.864481
where:
bonds (distance) C4'-P energy: -13.491
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -13.129
flat angles P-C4'-P energy: -5.732
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: 8, replica: 1
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -87.789364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.789364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.789364 (E_RNA)
where:
Base-Base interactions energy: -50.154
where: short stacking energy: -28.138
Base-Backbone interact. energy: -0.300
local terms energy: -37.335414
where:
bonds (distance) C4'-P energy: -10.612
bonds (distance) P-C4' energy: -9.900
flat angles C4'-P-C4' energy: -10.631
flat angles P-C4'-P energy: -1.100
tors. eta vs tors. theta energy: -5.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -82.819409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.819409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.819409 (E_RNA)
where:
Base-Base interactions energy: -32.732
where: short stacking energy: -26.085
Base-Backbone interact. energy: -0.449
local terms energy: -49.638327
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -10.552
flat angles P-C4'-P energy: -4.184
tors. eta vs tors. theta energy: -4.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -86.176104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.176104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.176104 (E_RNA)
where:
Base-Base interactions energy: -36.522
where: short stacking energy: -17.696
Base-Backbone interact. energy: -0.105
local terms energy: -49.548450
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -10.747
flat angles P-C4'-P energy: -9.969
tors. eta vs tors. theta energy: 1.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -203.311268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.311268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.311268 (E_RNA)
where:
Base-Base interactions energy: -137.493
where: short stacking energy: -58.175
Base-Backbone interact. energy: -0.189
local terms energy: -65.629066
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -15.886
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: -10.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -184.886730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.886730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.886730 (E_RNA)
where:
Base-Base interactions energy: -112.251
where: short stacking energy: -69.656
Base-Backbone interact. energy: -0.043
local terms energy: -72.592873
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -15.680
flat angles P-C4'-P energy: -10.003
tors. eta vs tors. theta energy: -17.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -209.983055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.983055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.983055 (E_RNA)
where:
Base-Base interactions energy: -137.004
where: short stacking energy: -61.375
Base-Backbone interact. energy: -0.572
local terms energy: -72.406766
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -14.321
flat angles C4'-P-C4' energy: -16.959
flat angles P-C4'-P energy: -10.900
tors. eta vs tors. theta energy: -14.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -156.414826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.414826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.414826 (E_RNA)
where:
Base-Base interactions energy: -90.890
where: short stacking energy: -58.296
Base-Backbone interact. energy: -0.176
local terms energy: -65.348433
where:
bonds (distance) C4'-P energy: -11.951
bonds (distance) P-C4' energy: -13.731
flat angles C4'-P-C4' energy: -16.730
flat angles P-C4'-P energy: -4.065
tors. eta vs tors. theta energy: -18.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -101.130967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.130967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.130967 (E_RNA)
where:
Base-Base interactions energy: -51.599
where: short stacking energy: -42.065
Base-Backbone interact. energy: -0.101
local terms energy: -49.431550
where:
bonds (distance) C4'-P energy: -9.446
bonds (distance) P-C4' energy: -15.643
flat angles C4'-P-C4' energy: -9.495
flat angles P-C4'-P energy: -6.967
tors. eta vs tors. theta energy: -7.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -135.402667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.402667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.402667 (E_RNA)
where:
Base-Base interactions energy: -77.228
where: short stacking energy: -37.109
Base-Backbone interact. energy: -0.748
local terms energy: -57.427108
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -9.925
flat angles P-C4'-P energy: -8.375
tors. eta vs tors. theta energy: -8.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -89.352747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.352747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.352747 (E_RNA)
where:
Base-Base interactions energy: -38.104
where: short stacking energy: -26.582
Base-Backbone interact. energy: -0.074
local terms energy: -51.174215
where:
bonds (distance) C4'-P energy: -10.215
bonds (distance) P-C4' energy: -17.031
flat angles C4'-P-C4' energy: -10.887
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -2.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -90.900319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.900319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.900319 (E_RNA)
where:
Base-Base interactions energy: -39.149
where: short stacking energy: -36.340
Base-Backbone interact. energy: 0.524
local terms energy: -52.274615
where:
bonds (distance) C4'-P energy: -9.371
bonds (distance) P-C4' energy: -13.036
flat angles C4'-P-C4' energy: -12.135
flat angles P-C4'-P energy: -7.637
tors. eta vs tors. theta energy: -10.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -81.958270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.958270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.958270 (E_RNA)
where:
Base-Base interactions energy: -35.700
where: short stacking energy: -32.764
Base-Backbone interact. energy: 0.824
local terms energy: -47.081853
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -12.416
flat angles C4'-P-C4' energy: -13.884
flat angles P-C4'-P energy: -8.740
tors. eta vs tors. theta energy: 1.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -83.356867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.356867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.356867 (E_RNA)
where:
Base-Base interactions energy: -33.273
where: short stacking energy: -23.723
Base-Backbone interact. energy: 1.381
local terms energy: -51.464645
where:
bonds (distance) C4'-P energy: -15.000
bonds (distance) P-C4' energy: -11.563
flat angles C4'-P-C4' energy: -15.930
flat angles P-C4'-P energy: -5.211
tors. eta vs tors. theta energy: -3.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -180.920844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.920844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.920844 (E_RNA)
where:
Base-Base interactions energy: -108.759
where: short stacking energy: -65.891
Base-Backbone interact. energy: -0.108
local terms energy: -72.053266
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -10.915
flat angles C4'-P-C4' energy: -17.697
flat angles P-C4'-P energy: -11.060
tors. eta vs tors. theta energy: -15.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -204.438980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.438980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.438980 (E_RNA)
where:
Base-Base interactions energy: -133.413
where: short stacking energy: -56.624
Base-Backbone interact. energy: -0.097
local terms energy: -70.928863
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -16.277
flat angles P-C4'-P energy: -11.776
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: 3, replica: 10
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -168.921273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.921273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.921273 (E_RNA)
where:
Base-Base interactions energy: -97.381
where: short stacking energy: -54.511
Base-Backbone interact. energy: -0.097
local terms energy: -71.443119
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -16.669
flat angles C4'-P-C4' energy: -17.452
flat angles P-C4'-P energy: -10.051
tors. eta vs tors. theta energy: -12.109
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: 5
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -182.601251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.601251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.601251 (E_RNA)
where:
Base-Base interactions energy: -115.294
where: short stacking energy: -51.709
Base-Backbone interact. energy: -0.081
local terms energy: -67.226023
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -17.604
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -5.032
tors. eta vs tors. theta energy: -16.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -152.810711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.810711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.810711 (E_RNA)
where:
Base-Base interactions energy: -95.103
where: short stacking energy: -50.819
Base-Backbone interact. energy: 0.515
local terms energy: -58.222158
where:
bonds (distance) C4'-P energy: -9.100
bonds (distance) P-C4' energy: -14.119
flat angles C4'-P-C4' energy: -16.810
flat angles P-C4'-P energy: -7.863
tors. eta vs tors. theta energy: -10.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -96.397605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.397605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.397605 (E_RNA)
where:
Base-Base interactions energy: -41.088
where: short stacking energy: -29.396
Base-Backbone interact. energy: -0.591
local terms energy: -54.718519
where:
bonds (distance) C4'-P energy: -13.354
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -12.942
flat angles P-C4'-P energy: -8.643
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: 9
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -103.031419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.031419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.031419 (E_RNA)
where:
Base-Base interactions energy: -39.703
where: short stacking energy: -36.386
Base-Backbone interact. energy: -0.129
local terms energy: -63.199209
where:
bonds (distance) C4'-P energy: -11.754
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -13.650
flat angles P-C4'-P energy: -12.806
tors. eta vs tors. theta energy: -10.192
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: 94
Temperature: 1.250000
Total energy: -83.486559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.486559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.486559 (E_RNA)
where:
Base-Base interactions energy: -36.499
where: short stacking energy: -35.435
Base-Backbone interact. energy: -0.683
local terms energy: -46.304577
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -14.148
flat angles C4'-P-C4' energy: -9.988
flat angles P-C4'-P energy: -5.386
tors. eta vs tors. theta energy: -2.261
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: 3
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -102.165371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.165371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.165371 (E_RNA)
where:
Base-Base interactions energy: -43.991
where: short stacking energy: -43.991
Base-Backbone interact. energy: -0.024
local terms energy: -58.150876
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -9.875
flat angles C4'-P-C4' energy: -14.533
flat angles P-C4'-P energy: -7.568
tors. eta vs tors. theta energy: -13.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -80.906636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.906636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.906636 (E_RNA)
where:
Base-Base interactions energy: -29.117
where: short stacking energy: -24.573
Base-Backbone interact. energy: -0.184
local terms energy: -51.605963
where:
bonds (distance) C4'-P energy: -13.228
bonds (distance) P-C4' energy: -16.098
flat angles C4'-P-C4' energy: -10.508
flat angles P-C4'-P energy: -8.861
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: 1, replica: 4
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -183.240127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.240127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.240127 (E_RNA)
where:
Base-Base interactions energy: -107.280
where: short stacking energy: -62.850
Base-Backbone interact. energy: -0.313
local terms energy: -75.646794
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -17.225
flat angles P-C4'-P energy: -12.584
tors. eta vs tors. theta energy: -14.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -195.135146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.135146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.135146 (E_RNA)
where:
Base-Base interactions energy: -133.675
where: short stacking energy: -50.051
Base-Backbone interact. energy: -0.509
local terms energy: -60.951853
where:
bonds (distance) C4'-P energy: -10.286
bonds (distance) P-C4' energy: -15.111
flat angles C4'-P-C4' energy: -12.771
flat angles P-C4'-P energy: -12.877
tors. eta vs tors. theta energy: -9.907
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: 10
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -173.048442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.048442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.048442 (E_RNA)
where:
Base-Base interactions energy: -105.125
where: short stacking energy: -53.580
Base-Backbone interact. energy: -0.166
local terms energy: -67.757717
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -14.105
flat angles C4'-P-C4' energy: -15.618
flat angles P-C4'-P energy: -9.463
tors. eta vs tors. theta energy: -14.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -144.271002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.271002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.271002 (E_RNA)
where:
Base-Base interactions energy: -81.056
where: short stacking energy: -49.693
Base-Backbone interact. energy: 0.877
local terms energy: -64.092470
where:
bonds (distance) C4'-P energy: -8.701
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -16.546
flat angles P-C4'-P energy: -7.821
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: 5, replica: 5
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -176.487959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.487959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.487959 (E_RNA)
where:
Base-Base interactions energy: -114.914
where: short stacking energy: -51.016
Base-Backbone interact. energy: -0.323
local terms energy: -61.251335
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -11.797
flat angles P-C4'-P energy: -7.838
tors. eta vs tors. theta energy: -14.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -99.934782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.934782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.934782 (E_RNA)
where:
Base-Base interactions energy: -44.634
where: short stacking energy: -44.634
Base-Backbone interact. energy: -0.083
local terms energy: -55.218194
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -12.708
flat angles C4'-P-C4' energy: -15.391
flat angles P-C4'-P energy: -8.395
tors. eta vs tors. theta energy: -3.724
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: 6
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -104.658417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.658417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.658417 (E_RNA)
where:
Base-Base interactions energy: -45.655
where: short stacking energy: -43.398
Base-Backbone interact. energy: -0.014
local terms energy: -58.988850
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -12.028
flat angles P-C4'-P energy: -9.188
tors. eta vs tors. theta energy: -9.478
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: 3
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -99.739553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.739553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.739553 (E_RNA)
where:
Base-Base interactions energy: -38.544
where: short stacking energy: -38.282
Base-Backbone interact. energy: -0.004
local terms energy: -61.191382
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -13.098
flat angles P-C4'-P energy: -6.663
tors. eta vs tors. theta energy: -8.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -82.957351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.957351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.957351 (E_RNA)
where:
Base-Base interactions energy: -32.234
where: short stacking energy: -11.017
Base-Backbone interact. energy: -0.169
local terms energy: -50.553943
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -12.189
flat angles C4'-P-C4' energy: -15.781
flat angles P-C4'-P energy: -8.718
tors. eta vs tors. theta energy: 2.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -80.976249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.976249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.976249 (E_RNA)
where:
Base-Base interactions energy: -27.995
where: short stacking energy: -21.305
Base-Backbone interact. energy: 1.218
local terms energy: -54.199678
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -16.255
flat angles P-C4'-P energy: -7.540
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: 1, replica: 2
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -199.717392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.717392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.717392 (E_RNA)
where:
Base-Base interactions energy: -128.399
where: short stacking energy: -55.788
Base-Backbone interact. energy: -0.190
local terms energy: -71.127607
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -14.619
flat angles P-C4'-P energy: -10.463
tors. eta vs tors. theta energy: -14.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -191.704896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.704896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.704896 (E_RNA)
where:
Base-Base interactions energy: -117.912
where: short stacking energy: -71.053
Base-Backbone interact. energy: -0.350
local terms energy: -73.443747
where:
bonds (distance) C4'-P energy: -11.229
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -13.080
flat angles P-C4'-P energy: -13.637
tors. eta vs tors. theta energy: -17.801
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: 10
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -183.562953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.562953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.562953 (E_RNA)
where:
Base-Base interactions energy: -107.083
where: short stacking energy: -60.951
Base-Backbone interact. energy: -2.824
local terms energy: -73.655834
where:
bonds (distance) C4'-P energy: -11.949
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -16.789
flat angles P-C4'-P energy: -12.961
tors. eta vs tors. theta energy: -16.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -155.231930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.231930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.231930 (E_RNA)
where:
Base-Base interactions energy: -86.640
where: short stacking energy: -47.579
Base-Backbone interact. energy: -0.096
local terms energy: -68.495805
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -13.073
flat angles P-C4'-P energy: -10.572
tors. eta vs tors. theta energy: -14.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -154.799581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.799581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.799581 (E_RNA)
where:
Base-Base interactions energy: -98.484
where: short stacking energy: -52.172
Base-Backbone interact. energy: -0.006
local terms energy: -56.309204
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -12.715
flat angles C4'-P-C4' energy: -12.119
flat angles P-C4'-P energy: -7.455
tors. eta vs tors. theta energy: -11.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -102.096055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.096055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.096055 (E_RNA)
where:
Base-Base interactions energy: -49.842
where: short stacking energy: -45.695
Base-Backbone interact. energy: -0.100
local terms energy: -52.154644
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -13.427
flat angles C4'-P-C4' energy: -10.350
flat angles P-C4'-P energy: -9.285
tors. eta vs tors. theta energy: -5.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -123.673896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.673896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.673896 (E_RNA)
where:
Base-Base interactions energy: -61.340
where: short stacking energy: -41.958
Base-Backbone interact. energy: -0.445
local terms energy: -61.889626
where:
bonds (distance) C4'-P energy: -16.574
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -8.981
flat angles P-C4'-P energy: -13.684
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: 8, replica: 3
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -102.124764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.124764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.124764 (E_RNA)
where:
Base-Base interactions energy: -45.144
where: short stacking energy: -45.144
Base-Backbone interact. energy: -0.003
local terms energy: -56.977689
where:
bonds (distance) C4'-P energy: -14.844
bonds (distance) P-C4' energy: -11.236
flat angles C4'-P-C4' energy: -13.139
flat angles P-C4'-P energy: -7.028
tors. eta vs tors. theta energy: -10.731
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: 96
Temperature: 1.300000
Total energy: -82.202218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.202218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.202218 (E_RNA)
where:
Base-Base interactions energy: -33.045
where: short stacking energy: -20.623
Base-Backbone interact. energy: -0.056
local terms energy: -49.100957
where:
bonds (distance) C4'-P energy: -12.586
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -7.535
flat angles P-C4'-P energy: -8.973
tors. eta vs tors. theta energy: -2.994
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: 10, replica: 8
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -69.608615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.608615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.608615 (E_RNA)
where:
Base-Base interactions energy: -25.090
where: short stacking energy: -23.219
Base-Backbone interact. energy: 1.622
local terms energy: -46.140258
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -10.182
flat angles P-C4'-P energy: -5.064
tors. eta vs tors. theta energy: -1.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -212.938817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.938817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.938817 (E_RNA)
where:
Base-Base interactions energy: -139.512
where: short stacking energy: -67.945
Base-Backbone interact. energy: -0.056
local terms energy: -73.371399
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -13.210
flat angles C4'-P-C4' energy: -16.494
flat angles P-C4'-P energy: -12.198
tors. eta vs tors. theta energy: -15.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -189.218758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.218758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.218758 (E_RNA)
where:
Base-Base interactions energy: -116.937
where: short stacking energy: -61.777
Base-Backbone interact. energy: -0.013
local terms energy: -72.268719
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -14.389
flat angles C4'-P-C4' energy: -18.047
flat angles P-C4'-P energy: -9.540
tors. eta vs tors. theta energy: -15.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -172.955011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.955011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.955011 (E_RNA)
where:
Base-Base interactions energy: -104.142
where: short stacking energy: -60.941
Base-Backbone interact. energy: -0.335
local terms energy: -68.478210
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -14.034
flat angles P-C4'-P energy: -11.589
tors. eta vs tors. theta energy: -13.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -148.325547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.325547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.325547 (E_RNA)
where:
Base-Base interactions energy: -89.795
where: short stacking energy: -51.943
Base-Backbone interact. energy: -0.170
local terms energy: -58.360016
where:
bonds (distance) C4'-P energy: -7.008
bonds (distance) P-C4' energy: -14.733
flat angles C4'-P-C4' energy: -16.075
flat angles P-C4'-P energy: -10.109
tors. eta vs tors. theta energy: -10.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -156.459129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.459129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.459129 (E_RNA)
where:
Base-Base interactions energy: -86.828
where: short stacking energy: -53.723
Base-Backbone interact. energy: -0.143
local terms energy: -69.487690
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -16.597
flat angles P-C4'-P energy: -3.507
tors. eta vs tors. theta energy: -15.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -123.779422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.779422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.779422 (E_RNA)
where:
Base-Base interactions energy: -69.376
where: short stacking energy: -52.234
Base-Backbone interact. energy: -0.019
local terms energy: -54.384371
where:
bonds (distance) C4'-P energy: -8.994
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -5.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -98.062935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.062935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.062935 (E_RNA)
where:
Base-Base interactions energy: -39.116
where: short stacking energy: -38.328
Base-Backbone interact. energy: -0.142
local terms energy: -58.805202
where:
bonds (distance) C4'-P energy: -11.630
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -10.731
tors. eta vs tors. theta energy: -7.081
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: 97
Temperature: 1.250000
Total energy: -93.646464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.646464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.646464 (E_RNA)
where:
Base-Base interactions energy: -41.277
where: short stacking energy: -38.122
Base-Backbone interact. energy: -0.138
local terms energy: -52.231258
where:
bonds (distance) C4'-P energy: -12.741
bonds (distance) P-C4' energy: -13.498
flat angles C4'-P-C4' energy: -12.102
flat angles P-C4'-P energy: -7.789
tors. eta vs tors. theta energy: -6.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -89.022107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.022107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.022107 (E_RNA)
where:
Base-Base interactions energy: -35.914
where: short stacking energy: -36.143
Base-Backbone interact. energy: -0.456
local terms energy: -52.652675
where:
bonds (distance) C4'-P energy: -10.241
bonds (distance) P-C4' energy: -12.261
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -7.766
tors. eta vs tors. theta energy: -7.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -85.326939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.326939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.326939 (E_RNA)
where:
Base-Base interactions energy: -35.313
where: short stacking energy: -30.044
Base-Backbone interact. energy: -0.355
local terms energy: -49.659020
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -17.947
flat angles C4'-P-C4' energy: -12.957
flat angles P-C4'-P energy: -5.421
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: 1, replica: 10
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -190.720094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.720094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.720094 (E_RNA)
where:
Base-Base interactions energy: -116.266
where: short stacking energy: -67.479
Base-Backbone interact. energy: -0.009
local terms energy: -74.445936
where:
bonds (distance) C4'-P energy: -16.157
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -16.332
flat angles P-C4'-P energy: -8.816
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: 2, replica: 2
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -197.269905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.269905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.269905 (E_RNA)
where:
Base-Base interactions energy: -125.400
where: short stacking energy: -57.104
Base-Backbone interact. energy: -0.006
local terms energy: -71.863970
where:
bonds (distance) C4'-P energy: -16.313
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -16.195
flat angles P-C4'-P energy: -10.661
tors. eta vs tors. theta energy: -11.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -175.892654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.892654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.892654 (E_RNA)
where:
Base-Base interactions energy: -98.760
where: short stacking energy: -60.586
Base-Backbone interact. energy: -0.142
local terms energy: -76.990214
where:
bonds (distance) C4'-P energy: -16.919
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -17.383
flat angles P-C4'-P energy: -12.753
tors. eta vs tors. theta energy: -14.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -153.358917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.358917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.358917 (E_RNA)
where:
Base-Base interactions energy: -88.093
where: short stacking energy: -46.614
Base-Backbone interact. energy: -0.464
local terms energy: -64.801761
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -13.409
tors. eta vs tors. theta energy: -8.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -113.945471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.945471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.945471 (E_RNA)
where:
Base-Base interactions energy: -59.801
where: short stacking energy: -34.902
Base-Backbone interact. energy: -0.533
local terms energy: -53.611263
where:
bonds (distance) C4'-P energy: -13.121
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -10.976
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: 0.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -148.106172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.106172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.106172 (E_RNA)
where:
Base-Base interactions energy: -79.705
where: short stacking energy: -44.961
Base-Backbone interact. energy: -0.464
local terms energy: -67.936701
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -14.739
flat angles P-C4'-P energy: -10.694
tors. eta vs tors. theta energy: -12.619
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: 7, replica: 3
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -90.997157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.997157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.997157 (E_RNA)
where:
Base-Base interactions energy: -33.678
where: short stacking energy: -28.734
Base-Backbone interact. energy: -1.494
local terms energy: -55.825295
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -17.273
flat angles C4'-P-C4' energy: -12.675
flat angles P-C4'-P energy: -11.472
tors. eta vs tors. theta energy: -0.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -88.596262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.596262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.596262 (E_RNA)
where:
Base-Base interactions energy: -39.062
where: short stacking energy: -34.040
Base-Backbone interact. energy: -0.021
local terms energy: -49.513302
where:
bonds (distance) C4'-P energy: -12.900
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -11.172
flat angles P-C4'-P energy: -4.620
tors. eta vs tors. theta energy: -6.461
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: 8
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -84.393969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.393969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.393969 (E_RNA)
where:
Base-Base interactions energy: -32.870
where: short stacking energy: -28.626
Base-Backbone interact. energy: -1.274
local terms energy: -50.249657
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -11.107
flat angles P-C4'-P energy: -7.641
tors. eta vs tors. theta energy: -3.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -71.694093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.694093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.694093 (E_RNA)
where:
Base-Base interactions energy: -16.101
where: short stacking energy: -16.101
Base-Backbone interact. energy: -0.034
local terms energy: -55.559054
where:
bonds (distance) C4'-P energy: -11.153
bonds (distance) P-C4' energy: -14.792
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -9.562
tors. eta vs tors. theta energy: -6.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -160.913960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.913960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.913960 (E_RNA)
where:
Base-Base interactions energy: -90.524
where: short stacking energy: -47.591
Base-Backbone interact. energy: -0.575
local terms energy: -69.814350
where:
bonds (distance) C4'-P energy: -18.014
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -12.918
flat angles P-C4'-P energy: -10.356
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: 2, replica: 2
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -207.137542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.137542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.137542 (E_RNA)
where:
Base-Base interactions energy: -143.415
where: short stacking energy: -53.410
Base-Backbone interact. energy: 0.437
local terms energy: -64.159076
where:
bonds (distance) C4'-P energy: -14.632
bonds (distance) P-C4' energy: -17.852
flat angles C4'-P-C4' energy: -12.786
flat angles P-C4'-P energy: -8.613
tors. eta vs tors. theta energy: -10.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -179.317779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.317779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.317779 (E_RNA)
where:
Base-Base interactions energy: -108.874
where: short stacking energy: -58.684
Base-Backbone interact. energy: -0.068
local terms energy: -70.376479
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -9.583
tors. eta vs tors. theta energy: -12.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -159.461611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.461611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.461611 (E_RNA)
where:
Base-Base interactions energy: -95.506
where: short stacking energy: -54.221
Base-Backbone interact. energy: 0.737
local terms energy: -64.692806
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -13.327
flat angles P-C4'-P energy: -9.037
tors. eta vs tors. theta energy: -10.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -146.290802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.290802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.290802 (E_RNA)
where:
Base-Base interactions energy: -83.029
where: short stacking energy: -46.389
Base-Backbone interact. energy: -0.005
local terms energy: -63.256471
where:
bonds (distance) C4'-P energy: -16.565
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -13.907
flat angles P-C4'-P energy: -7.383
tors. eta vs tors. theta energy: -10.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -154.295548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.295548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.295548 (E_RNA)
where:
Base-Base interactions energy: -85.032
where: short stacking energy: -52.491
Base-Backbone interact. energy: -0.095
local terms energy: -69.168364
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -12.557
flat angles C4'-P-C4' energy: -17.330
flat angles P-C4'-P energy: -9.703
tors. eta vs tors. theta energy: -13.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -90.353920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.353920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.353920 (E_RNA)
where:
Base-Base interactions energy: -40.294
where: short stacking energy: -30.026
Base-Backbone interact. energy: -0.041
local terms energy: -50.019314
where:
bonds (distance) C4'-P energy: -16.615
bonds (distance) P-C4' energy: -11.398
flat angles C4'-P-C4' energy: -12.405
flat angles P-C4'-P energy: -6.294
tors. eta vs tors. theta energy: -3.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -97.414389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.414389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.414389 (E_RNA)
where:
Base-Base interactions energy: -51.996
where: short stacking energy: -23.440
Base-Backbone interact. energy: 2.188
local terms energy: -47.606475
where:
bonds (distance) C4'-P energy: -11.966
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -12.401
flat angles P-C4'-P energy: -5.713
tors. eta vs tors. theta energy: 0.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -90.062781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.062781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.062781 (E_RNA)
where:
Base-Base interactions energy: -36.987
where: short stacking energy: -34.697
Base-Backbone interact. energy: 0.064
local terms energy: -53.138794
where:
bonds (distance) C4'-P energy: -10.117
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -15.687
flat angles P-C4'-P energy: -9.427
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: 10, replica: 1
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -80.071964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.071964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.071964 (E_RNA)
where:
Base-Base interactions energy: -27.664
where: short stacking energy: -24.488
Base-Backbone interact. energy: -0.478
local terms energy: -51.930319
where:
bonds (distance) C4'-P energy: -13.509
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -8.942
flat angles P-C4'-P energy: -13.555
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: 1, replica: 2
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -199.466465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.466465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.466465 (E_RNA)
where:
Base-Base interactions energy: -130.237
where: short stacking energy: -56.619
Base-Backbone interact. energy: -0.051
local terms energy: -69.179276
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -11.452
tors. eta vs tors. theta energy: -10.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -165.892455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.892455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.892455 (E_RNA)
where:
Base-Base interactions energy: -95.849
where: short stacking energy: -46.176
Base-Backbone interact. energy: -2.835
local terms energy: -67.208231
where:
bonds (distance) C4'-P energy: -11.056
bonds (distance) P-C4' energy: -17.743
flat angles C4'-P-C4' energy: -15.790
flat angles P-C4'-P energy: -10.075
tors. eta vs tors. theta energy: -12.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -180.110595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.110595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.110595 (E_RNA)
where:
Base-Base interactions energy: -114.158
where: short stacking energy: -60.103
Base-Backbone interact. energy: -0.106
local terms energy: -65.847123
where:
bonds (distance) C4'-P energy: -11.551
bonds (distance) P-C4' energy: -11.678
flat angles C4'-P-C4' energy: -15.782
flat angles P-C4'-P energy: -12.790
tors. eta vs tors. theta energy: -14.045
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: 5
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -165.273599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.273599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.273599 (E_RNA)
where:
Base-Base interactions energy: -97.126
where: short stacking energy: -61.127
Base-Backbone interact. energy: 1.566
local terms energy: -69.713585
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -18.536
flat angles P-C4'-P energy: -11.700
tors. eta vs tors. theta energy: -13.194
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: 6
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -149.243285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.243285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.243285 (E_RNA)
where:
Base-Base interactions energy: -76.715
where: short stacking energy: -47.492
Base-Backbone interact. energy: -1.181
local terms energy: -71.346863
where:
bonds (distance) C4'-P energy: -11.093
bonds (distance) P-C4' energy: -14.936
flat angles C4'-P-C4' energy: -16.020
flat angles P-C4'-P energy: -12.510
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: 6, replica: 7
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -147.045049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.045049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.045049 (E_RNA)
where:
Base-Base interactions energy: -87.169
where: short stacking energy: -45.372
Base-Backbone interact. energy: -0.267
local terms energy: -59.609380
where:
bonds (distance) C4'-P energy: -11.158
bonds (distance) P-C4' energy: -15.338
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -10.057
tors. eta vs tors. theta energy: -8.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -97.859695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.859695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.859695 (E_RNA)
where:
Base-Base interactions energy: -37.242
where: short stacking energy: -27.599
Base-Backbone interact. energy: -0.314
local terms energy: -60.303365
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -17.544
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -8.624
tors. eta vs tors. theta energy: -2.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -85.111251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.111251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.111251 (E_RNA)
where:
Base-Base interactions energy: -33.006
where: short stacking energy: -33.006
Base-Backbone interact. energy: -0.118
local terms energy: -51.986882
where:
bonds (distance) C4'-P energy: -9.856
bonds (distance) P-C4' energy: -15.129
flat angles C4'-P-C4' energy: -12.524
flat angles P-C4'-P energy: -10.063
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: 1
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -90.926674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.926674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.926674 (E_RNA)
where:
Base-Base interactions energy: -43.804
where: short stacking energy: -33.592
Base-Backbone interact. energy: -0.201
local terms energy: -46.921933
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -9.656
flat angles P-C4'-P energy: -3.380
tors. eta vs tors. theta energy: -6.120
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: 10, replica: 9
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -82.983322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.983322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.983322 (E_RNA)
where:
Base-Base interactions energy: -26.347
where: short stacking energy: -26.347
Base-Backbone interact. energy: -0.019
local terms energy: -56.617195
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -12.086
flat angles C4'-P-C4' energy: -12.735
flat angles P-C4'-P energy: -7.759
tors. eta vs tors. theta energy: -8.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -204.080723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.080723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.080723 (E_RNA)
where:
Base-Base interactions energy: -130.629
where: short stacking energy: -62.665
Base-Backbone interact. energy: -0.065
local terms energy: -73.387128
where:
bonds (distance) C4'-P energy: -16.337
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -14.228
flat angles P-C4'-P energy: -11.111
tors. eta vs tors. theta energy: -16.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -184.987574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.987574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.987574 (E_RNA)
where:
Base-Base interactions energy: -106.691
where: short stacking energy: -61.090
Base-Backbone interact. energy: -1.198
local terms energy: -77.098784
where:
bonds (distance) C4'-P energy: -18.086
bonds (distance) P-C4' energy: -15.197
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -13.651
tors. eta vs tors. theta energy: -15.394
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: 10
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -170.461952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.461952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.461952 (E_RNA)
where:
Base-Base interactions energy: -102.976
where: short stacking energy: -49.075
Base-Backbone interact. energy: -0.716
local terms energy: -66.769922
where:
bonds (distance) C4'-P energy: -14.774
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -13.829
flat angles P-C4'-P energy: -5.784
tors. eta vs tors. theta energy: -16.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -160.266627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.266627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.266627 (E_RNA)
where:
Base-Base interactions energy: -99.870
where: short stacking energy: -48.283
Base-Backbone interact. energy: -0.131
local terms energy: -60.265620
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -13.122
flat angles P-C4'-P energy: -8.930
tors. eta vs tors. theta energy: -8.545
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: 6
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -142.039390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.039390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.039390 (E_RNA)
where:
Base-Base interactions energy: -78.777
where: short stacking energy: -52.683
Base-Backbone interact. energy: -0.094
local terms energy: -63.168259
where:
bonds (distance) C4'-P energy: -10.622
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -12.803
flat angles P-C4'-P energy: -10.343
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: 7
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -150.234837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.234837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.234837 (E_RNA)
where:
Base-Base interactions energy: -85.342
where: short stacking energy: -45.488
Base-Backbone interact. energy: -0.048
local terms energy: -64.844626
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -13.715
flat angles P-C4'-P energy: -7.505
tors. eta vs tors. theta energy: -13.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -97.954017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.954017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.954017 (E_RNA)
where:
Base-Base interactions energy: -37.601
where: short stacking energy: -30.187
Base-Backbone interact. energy: -0.919
local terms energy: -59.434027
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -6.719
tors. eta vs tors. theta energy: -7.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -77.073082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.073082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.073082 (E_RNA)
where:
Base-Base interactions energy: -30.412
where: short stacking energy: -30.685
Base-Backbone interact. energy: -0.217
local terms energy: -46.443807
where:
bonds (distance) C4'-P energy: -11.543
bonds (distance) P-C4' energy: -12.749
flat angles C4'-P-C4' energy: -13.479
flat angles P-C4'-P energy: -5.722
tors. eta vs tors. theta energy: -2.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -78.546670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.546670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.546670 (E_RNA)
where:
Base-Base interactions energy: -33.360
where: short stacking energy: -28.622
Base-Backbone interact. energy: -0.262
local terms energy: -44.924702
where:
bonds (distance) C4'-P energy: -10.709
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -10.096
flat angles P-C4'-P energy: -8.838
tors. eta vs tors. theta energy: -0.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -75.653847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.653847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.653847 (E_RNA)
where:
Base-Base interactions energy: -23.658
where: short stacking energy: -21.234
Base-Backbone interact. energy: -0.089
local terms energy: -51.907066
where:
bonds (distance) C4'-P energy: -11.347
bonds (distance) P-C4' energy: -15.482
flat angles C4'-P-C4' energy: -11.508
flat angles P-C4'-P energy: -7.452
tors. eta vs tors. theta energy: -6.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -200.544588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.544588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.544588 (E_RNA)
where:
Base-Base interactions energy: -131.312
where: short stacking energy: -61.307
Base-Backbone interact. energy: -0.174
local terms energy: -69.058402
where:
bonds (distance) C4'-P energy: -12.236
bonds (distance) P-C4' energy: -16.466
flat angles C4'-P-C4' energy: -13.891
flat angles P-C4'-P energy: -12.884
tors. eta vs tors. theta energy: -13.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -188.802845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.802845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.802845 (E_RNA)
where:
Base-Base interactions energy: -116.290
where: short stacking energy: -58.797
Base-Backbone interact. energy: -0.253
local terms energy: -72.260261
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -13.594
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -13.340
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: 3, replica: 10
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -163.020814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.020814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.020814 (E_RNA)
where:
Base-Base interactions energy: -89.242
where: short stacking energy: -54.003
Base-Backbone interact. energy: 0.132
local terms energy: -73.911569
where:
bonds (distance) C4'-P energy: -11.198
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -17.106
flat angles P-C4'-P energy: -8.134
tors. eta vs tors. theta energy: -19.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -163.503084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.503084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.503084 (E_RNA)
where:
Base-Base interactions energy: -100.724
where: short stacking energy: -53.515
Base-Backbone interact. energy: -0.334
local terms energy: -62.445700
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -13.907
flat angles C4'-P-C4' energy: -15.883
flat angles P-C4'-P energy: -9.318
tors. eta vs tors. theta energy: -9.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -157.234991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.234991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.234991 (E_RNA)
where:
Base-Base interactions energy: -97.347
where: short stacking energy: -54.021
Base-Backbone interact. energy: -0.164
local terms energy: -59.724093
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -12.904
flat angles P-C4'-P energy: -8.287
tors. eta vs tors. theta energy: -11.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -144.664681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.664681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.664681 (E_RNA)
where:
Base-Base interactions energy: -83.899
where: short stacking energy: -36.401
Base-Backbone interact. energy: -0.191
local terms energy: -60.574309
where:
bonds (distance) C4'-P energy: -16.566
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -11.296
flat angles P-C4'-P energy: -11.328
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: 7, replica: 1
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -93.130901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.130901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.130901 (E_RNA)
where:
Base-Base interactions energy: -37.048
where: short stacking energy: -36.345
Base-Backbone interact. energy: 0.933
local terms energy: -57.015753
where:
bonds (distance) C4'-P energy: -10.282
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -17.161
flat angles P-C4'-P energy: -7.051
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: 8, replica: 8
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -80.103976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.103976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.103976 (E_RNA)
where:
Base-Base interactions energy: -31.654
where: short stacking energy: -31.654
Base-Backbone interact. energy: -0.639
local terms energy: -47.811818
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -1.062
tors. eta vs tors. theta energy: -2.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -86.019263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.019263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.019263 (E_RNA)
where:
Base-Base interactions energy: -35.400
where: short stacking energy: -27.149
Base-Backbone interact. energy: -1.186
local terms energy: -49.432977
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -13.658
flat angles C4'-P-C4' energy: -12.379
flat angles P-C4'-P energy: -2.770
tors. eta vs tors. theta energy: -7.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -81.780578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.780578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.780578 (E_RNA)
where:
Base-Base interactions energy: -33.392
where: short stacking energy: -20.652
Base-Backbone interact. energy: -0.985
local terms energy: -47.403172
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -9.515
flat angles C4'-P-C4' energy: -12.340
flat angles P-C4'-P energy: -11.808
tors. eta vs tors. theta energy: -0.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -192.611962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.611962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.611962 (E_RNA)
where:
Base-Base interactions energy: -136.235
where: short stacking energy: -52.294
Base-Backbone interact. energy: -0.137
local terms energy: -56.239414
where:
bonds (distance) C4'-P energy: -10.260
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -10.206
flat angles P-C4'-P energy: -8.645
tors. eta vs tors. theta energy: -10.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -191.720581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.720581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.720581 (E_RNA)
where:
Base-Base interactions energy: -122.042
where: short stacking energy: -58.229
Base-Backbone interact. energy: -0.200
local terms energy: -69.478192
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -16.591
flat angles P-C4'-P energy: -10.402
tors. eta vs tors. theta energy: -12.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -163.318280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.318280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.318280 (E_RNA)
where:
Base-Base interactions energy: -102.085
where: short stacking energy: -50.624
Base-Backbone interact. energy: -0.098
local terms energy: -61.135807
where:
bonds (distance) C4'-P energy: -15.936
bonds (distance) P-C4' energy: -12.308
flat angles C4'-P-C4' energy: -14.573
flat angles P-C4'-P energy: -9.186
tors. eta vs tors. theta energy: -9.133
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: 7
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -160.778292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.778292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.778292 (E_RNA)
where:
Base-Base interactions energy: -94.756
where: short stacking energy: -54.273
Base-Backbone interact. energy: -0.004
local terms energy: -66.018062
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -11.494
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -11.103
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: 5, replica: 5
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -157.394064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.394064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.394064 (E_RNA)
where:
Base-Base interactions energy: -93.062
where: short stacking energy: -44.311
Base-Backbone interact. energy: 1.270
local terms energy: -65.601387
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -12.138
flat angles C4'-P-C4' energy: -16.739
flat angles P-C4'-P energy: -9.632
tors. eta vs tors. theta energy: -13.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -163.952375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.952375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.952375 (E_RNA)
where:
Base-Base interactions energy: -103.567
where: short stacking energy: -58.080
Base-Backbone interact. energy: -0.068
local terms energy: -60.317717
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -13.483
flat angles C4'-P-C4' energy: -11.927
flat angles P-C4'-P energy: -8.556
tors. eta vs tors. theta energy: -10.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -95.247096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.247096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.247096 (E_RNA)
where:
Base-Base interactions energy: -52.616
where: short stacking energy: -30.378
Base-Backbone interact. energy: -0.281
local terms energy: -42.350668
where:
bonds (distance) C4'-P energy: -9.611
bonds (distance) P-C4' energy: -16.463
flat angles C4'-P-C4' energy: -12.765
flat angles P-C4'-P energy: -2.767
tors. eta vs tors. theta energy: -0.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -87.143597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.143597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.143597 (E_RNA)
where:
Base-Base interactions energy: -38.196
where: short stacking energy: -23.821
Base-Backbone interact. energy: -0.205
local terms energy: -48.742907
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -17.588
flat angles C4'-P-C4' energy: -10.262
flat angles P-C4'-P energy: -10.801
tors. eta vs tors. theta energy: 3.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -85.579141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.579141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.579141 (E_RNA)
where:
Base-Base interactions energy: -42.504
where: short stacking energy: -42.504
Base-Backbone interact. energy: 0.706
local terms energy: -43.780998
where:
bonds (distance) C4'-P energy: -11.809
bonds (distance) P-C4' energy: -8.351
flat angles C4'-P-C4' energy: -6.905
flat angles P-C4'-P energy: -9.663
tors. eta vs tors. theta energy: -7.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -80.275893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.275893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.275893 (E_RNA)
where:
Base-Base interactions energy: -26.840
where: short stacking energy: -26.840
Base-Backbone interact. energy: -0.043
local terms energy: -53.393244
where:
bonds (distance) C4'-P energy: -14.952
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -9.231
flat angles P-C4'-P energy: -7.836
tors. eta vs tors. theta energy: -4.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -211.482656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.482656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.482656 (E_RNA)
where:
Base-Base interactions energy: -137.937
where: short stacking energy: -55.947
Base-Backbone interact. energy: -0.503
local terms energy: -73.043328
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -13.407
flat angles P-C4'-P energy: -10.822
tors. eta vs tors. theta energy: -17.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -197.572736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.572736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.572736 (E_RNA)
where:
Base-Base interactions energy: -133.949
where: short stacking energy: -57.436
Base-Backbone interact. energy: -0.023
local terms energy: -63.600577
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -17.583
flat angles C4'-P-C4' energy: -9.081
flat angles P-C4'-P energy: -11.103
tors. eta vs tors. theta energy: -12.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -159.055529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.055529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.055529 (E_RNA)
where:
Base-Base interactions energy: -95.232
where: short stacking energy: -53.609
Base-Backbone interact. energy: -0.039
local terms energy: -63.784576
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -16.449
flat angles P-C4'-P energy: -3.750
tors. eta vs tors. theta energy: -12.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -152.306574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.306574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.306574 (E_RNA)
where:
Base-Base interactions energy: -88.571
where: short stacking energy: -61.016
Base-Backbone interact. energy: -0.050
local terms energy: -63.685187
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -14.155
flat angles C4'-P-C4' energy: -15.096
flat angles P-C4'-P energy: -9.819
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: 5, replica: 5
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -162.630361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.630361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.630361 (E_RNA)
where:
Base-Base interactions energy: -106.593
where: short stacking energy: -58.168
Base-Backbone interact. energy: 2.290
local terms energy: -58.327323
where:
bonds (distance) C4'-P energy: -12.103
bonds (distance) P-C4' energy: -16.225
flat angles C4'-P-C4' energy: -12.313
flat angles P-C4'-P energy: -2.453
tors. eta vs tors. theta energy: -15.232
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: 6
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -159.266639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.266639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.266639 (E_RNA)
where:
Base-Base interactions energy: -92.392
where: short stacking energy: -49.033
Base-Backbone interact. energy: -0.028
local terms energy: -66.846974
where:
bonds (distance) C4'-P energy: -14.085
bonds (distance) P-C4' energy: -16.837
flat angles C4'-P-C4' energy: -17.216
flat angles P-C4'-P energy: -6.862
tors. eta vs tors. theta energy: -11.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -97.723267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.723267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.723267 (E_RNA)
where:
Base-Base interactions energy: -43.653
where: short stacking energy: -41.056
Base-Backbone interact. energy: -0.124
local terms energy: -53.946233
where:
bonds (distance) C4'-P energy: -11.139
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -12.045
flat angles P-C4'-P energy: -9.121
tors. eta vs tors. theta energy: -7.681
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: 1
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -98.987087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.987087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.987087 (E_RNA)
where:
Base-Base interactions energy: -37.596
where: short stacking energy: -37.596
Base-Backbone interact. energy: -0.016
local terms energy: -61.375296
where:
bonds (distance) C4'-P energy: -16.263
bonds (distance) P-C4' energy: -16.511
flat angles C4'-P-C4' energy: -16.369
flat angles P-C4'-P energy: -5.931
tors. eta vs tors. theta energy: -6.301
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: 3
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -81.489017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.489017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.489017 (E_RNA)
where:
Base-Base interactions energy: -31.813
where: short stacking energy: -28.672
Base-Backbone interact. energy: 0.827
local terms energy: -50.502522
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -11.342
flat angles C4'-P-C4' energy: -14.736
flat angles P-C4'-P energy: -8.528
tors. eta vs tors. theta energy: -3.523
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: 10, replica: 9
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -81.388306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.388306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.388306 (E_RNA)
where:
Base-Base interactions energy: -27.634
where: short stacking energy: -25.782
Base-Backbone interact. energy: -0.057
local terms energy: -53.697330
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -14.262
flat angles P-C4'-P energy: -10.268
tors. eta vs tors. theta energy: -2.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -202.881966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.881966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.881966 (E_RNA)
where:
Base-Base interactions energy: -135.452
where: short stacking energy: -56.900
Base-Backbone interact. energy: -0.226
local terms energy: -67.204742
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -13.506
flat angles P-C4'-P energy: -9.749
tors. eta vs tors. theta energy: -11.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -193.523376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.523376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.523376 (E_RNA)
where:
Base-Base interactions energy: -122.403
where: short stacking energy: -62.596
Base-Backbone interact. energy: -0.097
local terms energy: -71.023819
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -16.426
flat angles P-C4'-P energy: -10.140
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: 3, replica: 7
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -164.205516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.205516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.205516 (E_RNA)
where:
Base-Base interactions energy: -94.758
where: short stacking energy: -56.469
Base-Backbone interact. energy: -0.701
local terms energy: -68.747109
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -14.963
flat angles C4'-P-C4' energy: -14.429
flat angles P-C4'-P energy: -9.804
tors. eta vs tors. theta energy: -15.402
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: 5
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -172.332499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.332499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.332499 (E_RNA)
where:
Base-Base interactions energy: -104.153
where: short stacking energy: -60.645
Base-Backbone interact. energy: -0.097
local terms energy: -68.082128
where:
bonds (distance) C4'-P energy: -13.725
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -13.363
flat angles P-C4'-P energy: -8.955
tors. eta vs tors. theta energy: -16.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -155.674639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.674639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.674639 (E_RNA)
where:
Base-Base interactions energy: -89.449
where: short stacking energy: -57.489
Base-Backbone interact. energy: -0.667
local terms energy: -65.558922
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -14.359
flat angles C4'-P-C4' energy: -15.911
flat angles P-C4'-P energy: -8.954
tors. eta vs tors. theta energy: -13.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -111.776454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.776454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.776454 (E_RNA)
where:
Base-Base interactions energy: -49.071
where: short stacking energy: -49.155
Base-Backbone interact. energy: -0.061
local terms energy: -62.644167
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -13.760
flat angles P-C4'-P energy: -11.674
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: 7, replica: 6
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -89.312938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.312938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.312938 (E_RNA)
where:
Base-Base interactions energy: -37.967
where: short stacking energy: -35.169
Base-Backbone interact. energy: -0.075
local terms energy: -51.270158
where:
bonds (distance) C4'-P energy: -11.689
bonds (distance) P-C4' energy: -10.017
flat angles C4'-P-C4' energy: -14.969
flat angles P-C4'-P energy: -9.524
tors. eta vs tors. theta energy: -5.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -83.429019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.429019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.429019 (E_RNA)
where:
Base-Base interactions energy: -39.278
where: short stacking energy: -39.478
Base-Backbone interact. energy: 0.056
local terms energy: -44.206468
where:
bonds (distance) C4'-P energy: -13.089
bonds (distance) P-C4' energy: -7.175
flat angles C4'-P-C4' energy: -13.467
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: -0.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -89.705624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.705624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.705624 (E_RNA)
where:
Base-Base interactions energy: -41.076
where: short stacking energy: -19.111
Base-Backbone interact. energy: -0.903
local terms energy: -47.726412
where:
bonds (distance) C4'-P energy: -12.143
bonds (distance) P-C4' energy: -15.379
flat angles C4'-P-C4' energy: -15.318
flat angles P-C4'-P energy: -8.297
tors. eta vs tors. theta energy: 3.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -77.132576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.132576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.132576 (E_RNA)
where:
Base-Base interactions energy: -28.919
where: short stacking energy: -16.057
Base-Backbone interact. energy: -0.223
local terms energy: -47.990490
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -16.115
flat angles C4'-P-C4' energy: -10.884
flat angles P-C4'-P energy: -9.174
tors. eta vs tors. theta energy: 0.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -208.298147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.298147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.298147 (E_RNA)
where:
Base-Base interactions energy: -136.508
where: short stacking energy: -66.074
Base-Backbone interact. energy: -0.041
local terms energy: -71.749265
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -9.559
tors. eta vs tors. theta energy: -17.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -194.711768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.711768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.711768 (E_RNA)
where:
Base-Base interactions energy: -131.500
where: short stacking energy: -55.767
Base-Backbone interact. energy: -0.186
local terms energy: -63.025427
where:
bonds (distance) C4'-P energy: -12.992
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -11.763
flat angles P-C4'-P energy: -7.119
tors. eta vs tors. theta energy: -15.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -172.357622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.357622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.357622 (E_RNA)
where:
Base-Base interactions energy: -101.140
where: short stacking energy: -55.792
Base-Backbone interact. energy: 3.268
local terms energy: -74.485542
where:
bonds (distance) C4'-P energy: -16.101
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -15.994
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: -15.690
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: 4, replica: 5
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -174.023466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.023466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.023466 (E_RNA)
where:
Base-Base interactions energy: -110.613
where: short stacking energy: -67.332
Base-Backbone interact. energy: 1.291
local terms energy: -64.701817
where:
bonds (distance) C4'-P energy: -10.985
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -17.939
flat angles P-C4'-P energy: -7.321
tors. eta vs tors. theta energy: -15.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -146.685599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.685599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.685599 (E_RNA)
where:
Base-Base interactions energy: -82.153
where: short stacking energy: -45.478
Base-Backbone interact. energy: -0.010
local terms energy: -64.522710
where:
bonds (distance) C4'-P energy: -15.895
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -8.099
tors. eta vs tors. theta energy: -9.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -134.092642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.092642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.092642 (E_RNA)
where:
Base-Base interactions energy: -71.810
where: short stacking energy: -41.527
Base-Backbone interact. energy: -0.499
local terms energy: -61.783117
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -12.492
flat angles C4'-P-C4' energy: -13.380
flat angles P-C4'-P energy: -11.298
tors. eta vs tors. theta energy: -10.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -107.415911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.415911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.415911 (E_RNA)
where:
Base-Base interactions energy: -51.546
where: short stacking energy: -49.748
Base-Backbone interact. energy: -0.083
local terms energy: -55.786994
where:
bonds (distance) C4'-P energy: -7.039
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -13.056
flat angles P-C4'-P energy: -9.285
tors. eta vs tors. theta energy: -9.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -88.662599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.662599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.662599 (E_RNA)
where:
Base-Base interactions energy: -29.394
where: short stacking energy: -29.394
Base-Backbone interact. energy: -0.033
local terms energy: -59.235760
where:
bonds (distance) C4'-P energy: -8.072
bonds (distance) P-C4' energy: -15.379
flat angles C4'-P-C4' energy: -13.948
flat angles P-C4'-P energy: -11.901
tors. eta vs tors. theta energy: -9.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -83.789812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.789812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.789812 (E_RNA)
where:
Base-Base interactions energy: -33.152
where: short stacking energy: -25.701
Base-Backbone interact. energy: -0.539
local terms energy: -50.098558
where:
bonds (distance) C4'-P energy: -17.568
bonds (distance) P-C4' energy: -13.513
flat angles C4'-P-C4' energy: -8.260
flat angles P-C4'-P energy: -8.861
tors. eta vs tors. theta energy: -1.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -87.617911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.617911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.617911 (E_RNA)
where:
Base-Base interactions energy: -30.389
where: short stacking energy: -30.389
Base-Backbone interact. energy: -0.027
local terms energy: -57.202084
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -13.360
flat angles P-C4'-P energy: -8.328
tors. eta vs tors. theta energy: -4.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -203.391434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.391434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.391434 (E_RNA)
where:
Base-Base interactions energy: -131.340
where: short stacking energy: -60.848
Base-Backbone interact. energy: -0.651
local terms energy: -71.400071
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -16.319
flat angles C4'-P-C4' energy: -13.127
flat angles P-C4'-P energy: -11.341
tors. eta vs tors. theta energy: -16.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -196.972518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.972518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.972518 (E_RNA)
where:
Base-Base interactions energy: -131.233
where: short stacking energy: -59.419
Base-Backbone interact. energy: -0.304
local terms energy: -65.435665
where:
bonds (distance) C4'-P energy: -11.247
bonds (distance) P-C4' energy: -15.403
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -9.401
tors. eta vs tors. theta energy: -14.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -168.307754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.307754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.307754 (E_RNA)
where:
Base-Base interactions energy: -106.631
where: short stacking energy: -46.017
Base-Backbone interact. energy: 0.645
local terms energy: -62.320945
where:
bonds (distance) C4'-P energy: -11.771
bonds (distance) P-C4' energy: -16.874
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -7.716
tors. eta vs tors. theta energy: -11.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -197.586589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.586589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.586589 (E_RNA)
where:
Base-Base interactions energy: -130.073
where: short stacking energy: -53.076
Base-Backbone interact. energy: -0.008
local terms energy: -67.505842
where:
bonds (distance) C4'-P energy: -12.986
bonds (distance) P-C4' energy: -12.953
flat angles C4'-P-C4' energy: -12.305
flat angles P-C4'-P energy: -13.817
tors. eta vs tors. theta energy: -15.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -163.670568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.670568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.670568 (E_RNA)
where:
Base-Base interactions energy: -101.832
where: short stacking energy: -60.746
Base-Backbone interact. energy: -0.861
local terms energy: -60.977986
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -9.198
flat angles C4'-P-C4' energy: -15.008
flat angles P-C4'-P energy: -5.686
tors. eta vs tors. theta energy: -16.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -152.500129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.500129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.500129 (E_RNA)
where:
Base-Base interactions energy: -98.058
where: short stacking energy: -55.165
Base-Backbone interact. energy: -0.147
local terms energy: -54.294225
where:
bonds (distance) C4'-P energy: -7.801
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -11.847
flat angles P-C4'-P energy: -11.012
tors. eta vs tors. theta energy: -10.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -91.346464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.346464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.346464 (E_RNA)
where:
Base-Base interactions energy: -40.548
where: short stacking energy: -36.047
Base-Backbone interact. energy: -0.288
local terms energy: -50.510150
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -13.710
flat angles C4'-P-C4' energy: -14.566
flat angles P-C4'-P energy: -5.689
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)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -119.267981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.267981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.267981 (E_RNA)
where:
Base-Base interactions energy: -65.018
where: short stacking energy: -33.811
Base-Backbone interact. energy: 0.222
local terms energy: -54.472210
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -12.029
flat angles P-C4'-P energy: -9.745
tors. eta vs tors. theta energy: -3.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -86.175062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.175062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.175062 (E_RNA)
where:
Base-Base interactions energy: -31.703
where: short stacking energy: -31.668
Base-Backbone interact. energy: -0.115
local terms energy: -54.357149
where:
bonds (distance) C4'-P energy: -12.646
bonds (distance) P-C4' energy: -13.440
flat angles C4'-P-C4' energy: -10.589
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -8.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -93.629209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.629209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.629209 (E_RNA)
where:
Base-Base interactions energy: -52.568
where: short stacking energy: -25.186
Base-Backbone interact. energy: -0.035
local terms energy: -41.026226
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -12.024
flat angles C4'-P-C4' energy: -10.598
flat angles P-C4'-P energy: -6.553
tors. eta vs tors. theta energy: 3.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -196.344128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.344128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.344128 (E_RNA)
where:
Base-Base interactions energy: -119.623
where: short stacking energy: -64.211
Base-Backbone interact. energy: -0.322
local terms energy: -76.399132
where:
bonds (distance) C4'-P energy: -17.224
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -14.886
flat angles P-C4'-P energy: -6.731
tors. eta vs tors. theta energy: -19.122
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: 2
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -211.404535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.404535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.404535 (E_RNA)
where:
Base-Base interactions energy: -136.660
where: short stacking energy: -65.123
Base-Backbone interact. energy: -0.017
local terms energy: -74.727487
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -13.421
flat angles P-C4'-P energy: -13.080
tors. eta vs tors. theta energy: -19.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -187.299337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.299337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.299337 (E_RNA)
where:
Base-Base interactions energy: -121.699
where: short stacking energy: -59.917
Base-Backbone interact. energy: 0.624
local terms energy: -66.223907
where:
bonds (distance) C4'-P energy: -14.011
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -6.114
tors. eta vs tors. theta energy: -14.601
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: 7
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -157.626488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.626488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.626488 (E_RNA)
where:
Base-Base interactions energy: -92.280
where: short stacking energy: -50.508
Base-Backbone interact. energy: -0.431
local terms energy: -64.915500
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -13.935
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -11.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -158.928231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.928231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.928231 (E_RNA)
where:
Base-Base interactions energy: -90.278
where: short stacking energy: -57.397
Base-Backbone interact. energy: -0.607
local terms energy: -68.043122
where:
bonds (distance) C4'-P energy: -12.870
bonds (distance) P-C4' energy: -16.963
flat angles C4'-P-C4' energy: -13.578
flat angles P-C4'-P energy: -8.526
tors. eta vs tors. theta energy: -16.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -146.903698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.903698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.903698 (E_RNA)
where:
Base-Base interactions energy: -91.220
where: short stacking energy: -42.730
Base-Backbone interact. energy: -1.649
local terms energy: -54.034281
where:
bonds (distance) C4'-P energy: -15.627
bonds (distance) P-C4' energy: -7.573
flat angles C4'-P-C4' energy: -14.076
flat angles P-C4'-P energy: -11.168
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: 6
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -117.928202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.928202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.928202 (E_RNA)
where:
Base-Base interactions energy: -71.149
where: short stacking energy: -40.303
Base-Backbone interact. energy: 0.197
local terms energy: -46.976079
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -11.915
flat angles C4'-P-C4' energy: -7.880
flat angles P-C4'-P energy: -8.053
tors. eta vs tors. theta energy: -5.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -87.272941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.272941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.272941 (E_RNA)
where:
Base-Base interactions energy: -40.017
where: short stacking energy: -33.073
Base-Backbone interact. energy: 0.022
local terms energy: -47.277714
where:
bonds (distance) C4'-P energy: -13.636
bonds (distance) P-C4' energy: -13.055
flat angles C4'-P-C4' energy: -8.622
flat angles P-C4'-P energy: -10.233
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: 1
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -95.654428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.654428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.654428 (E_RNA)
where:
Base-Base interactions energy: -50.846
where: short stacking energy: -45.674
Base-Backbone interact. energy: -0.071
local terms energy: -44.736713
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -8.334
flat angles C4'-P-C4' energy: -9.688
flat angles P-C4'-P energy: -6.143
tors. eta vs tors. theta energy: -6.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -76.839585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.839585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.839585 (E_RNA)
where:
Base-Base interactions energy: -23.207
where: short stacking energy: -23.207
Base-Backbone interact. energy: -0.028
local terms energy: -53.603949
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -10.752
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -3.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -188.611351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.611351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.611351 (E_RNA)
where:
Base-Base interactions energy: -114.340
where: short stacking energy: -60.124
Base-Backbone interact. energy: -0.805
local terms energy: -73.466174
where:
bonds (distance) C4'-P energy: -17.924
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -17.413
flat angles P-C4'-P energy: -11.511
tors. eta vs tors. theta energy: -11.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -187.302139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.302139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.302139 (E_RNA)
where:
Base-Base interactions energy: -126.441
where: short stacking energy: -45.337
Base-Backbone interact. energy: -0.450
local terms energy: -60.410579
where:
bonds (distance) C4'-P energy: -16.943
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -11.528
flat angles P-C4'-P energy: -3.045
tors. eta vs tors. theta energy: -10.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -191.634998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.634998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.634998 (E_RNA)
where:
Base-Base interactions energy: -123.374
where: short stacking energy: -55.579
Base-Backbone interact. energy: -0.004
local terms energy: -68.257060
where:
bonds (distance) C4'-P energy: -12.998
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -13.370
flat angles P-C4'-P energy: -13.457
tors. eta vs tors. theta energy: -13.191
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: 7
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -159.773023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.773023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.773023 (E_RNA)
where:
Base-Base interactions energy: -92.022
where: short stacking energy: -55.307
Base-Backbone interact. energy: -0.062
local terms energy: -67.689320
where:
bonds (distance) C4'-P energy: -14.656
bonds (distance) P-C4' energy: -16.066
flat angles C4'-P-C4' energy: -13.215
flat angles P-C4'-P energy: -9.801
tors. eta vs tors. theta energy: -13.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -164.200539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.200539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.200539 (E_RNA)
where:
Base-Base interactions energy: -96.996
where: short stacking energy: -59.883
Base-Backbone interact. energy: -0.418
local terms energy: -66.786541
where:
bonds (distance) C4'-P energy: -9.694
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -9.269
tors. eta vs tors. theta energy: -15.740
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: 6, replica: 10
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -143.275007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.275007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.275007 (E_RNA)
where:
Base-Base interactions energy: -78.585
where: short stacking energy: -48.362
Base-Backbone interact. energy: -0.407
local terms energy: -64.282992
where:
bonds (distance) C4'-P energy: -13.716
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -16.736
flat angles P-C4'-P energy: -7.675
tors. eta vs tors. theta energy: -11.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -95.458474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.458474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.458474 (E_RNA)
where:
Base-Base interactions energy: -39.152
where: short stacking energy: -37.811
Base-Backbone interact. energy: 1.228
local terms energy: -57.534623
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -10.573
flat angles P-C4'-P energy: -6.530
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: 8, replica: 1
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -90.076404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.076404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.076404 (E_RNA)
where:
Base-Base interactions energy: -36.862
where: short stacking energy: -36.862
Base-Backbone interact. energy: -0.056
local terms energy: -53.158835
where:
bonds (distance) C4'-P energy: -12.965
bonds (distance) P-C4' energy: -11.944
flat angles C4'-P-C4' energy: -13.444
flat angles P-C4'-P energy: -7.167
tors. eta vs tors. theta energy: -7.639
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: 3
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -77.119024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.119024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.119024 (E_RNA)
where:
Base-Base interactions energy: -25.744
where: short stacking energy: -25.286
Base-Backbone interact. energy: -0.014
local terms energy: -51.360948
where:
bonds (distance) C4'-P energy: -13.071
bonds (distance) P-C4' energy: -14.964
flat angles C4'-P-C4' energy: -15.478
flat angles P-C4'-P energy: -9.993
tors. eta vs tors. theta energy: 2.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -77.914127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.914127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.914127 (E_RNA)
where:
Base-Base interactions energy: -33.831
where: short stacking energy: -33.743
Base-Backbone interact. energy: 2.715
local terms energy: -46.798247
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -12.707
flat angles C4'-P-C4' energy: -13.873
flat angles P-C4'-P energy: -4.620
tors. eta vs tors. theta energy: -2.824
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: 4
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -187.733858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.733858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.733858 (E_RNA)
where:
Base-Base interactions energy: -115.389
where: short stacking energy: -68.003
Base-Backbone interact. energy: -0.000
local terms energy: -72.344039
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -15.596
flat angles P-C4'-P energy: -8.031
tors. eta vs tors. theta energy: -17.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -197.844522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.844522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.844522 (E_RNA)
where:
Base-Base interactions energy: -129.083
where: short stacking energy: -61.320
Base-Backbone interact. energy: -0.134
local terms energy: -68.626776
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -12.747
flat angles C4'-P-C4' energy: -15.614
flat angles P-C4'-P energy: -12.399
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: 3, replica: 2
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -194.503681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.503681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.503681 (E_RNA)
where:
Base-Base interactions energy: -135.684
where: short stacking energy: -57.220
Base-Backbone interact. energy: 0.174
local terms energy: -58.994248
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -12.119
flat angles P-C4'-P energy: -6.612
tors. eta vs tors. theta energy: -10.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -167.768789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.768789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.768789 (E_RNA)
where:
Base-Base interactions energy: -91.058
where: short stacking energy: -61.954
Base-Backbone interact. energy: 0.329
local terms energy: -77.039480
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -16.010
flat angles C4'-P-C4' energy: -15.713
flat angles P-C4'-P energy: -12.750
tors. eta vs tors. theta energy: -18.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -167.186526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.186526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.186526 (E_RNA)
where:
Base-Base interactions energy: -100.396
where: short stacking energy: -56.750
Base-Backbone interact. energy: -0.507
local terms energy: -66.283537
where:
bonds (distance) C4'-P energy: -11.560
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -15.772
flat angles P-C4'-P energy: -10.106
tors. eta vs tors. theta energy: -12.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -147.368117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.368117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.368117 (E_RNA)
where:
Base-Base interactions energy: -91.525
where: short stacking energy: -51.964
Base-Backbone interact. energy: -0.145
local terms energy: -55.698393
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -4.692
flat angles C4'-P-C4' energy: -12.705
flat angles P-C4'-P energy: -7.181
tors. eta vs tors. theta energy: -15.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -92.314619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.314619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.314619 (E_RNA)
where:
Base-Base interactions energy: -41.395
where: short stacking energy: -39.039
Base-Backbone interact. energy: -0.064
local terms energy: -50.856033
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -11.620
flat angles P-C4'-P energy: -7.267
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: 8, replica: 1
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -86.861967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.861967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.861967 (E_RNA)
where:
Base-Base interactions energy: -39.097
where: short stacking energy: -12.163
Base-Backbone interact. energy: -0.126
local terms energy: -47.638881
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -12.201
flat angles P-C4'-P energy: -6.671
tors. eta vs tors. theta energy: -2.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -78.801068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.801068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.801068 (E_RNA)
where:
Base-Base interactions energy: -33.266
where: short stacking energy: -25.040
Base-Backbone interact. energy: 0.096
local terms energy: -45.630521
where:
bonds (distance) C4'-P energy: -10.750
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -9.951
flat angles P-C4'-P energy: -10.112
tors. eta vs tors. theta energy: -0.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -78.769485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.769485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.769485 (E_RNA)
where:
Base-Base interactions energy: -34.893
where: short stacking energy: -17.074
Base-Backbone interact. energy: -0.051
local terms energy: -43.825451
where:
bonds (distance) C4'-P energy: -15.491
bonds (distance) P-C4' energy: -14.069
flat angles C4'-P-C4' energy: -10.928
flat angles P-C4'-P energy: -5.487
tors. eta vs tors. theta energy: 2.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -186.632182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.632182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.632182 (E_RNA)
where:
Base-Base interactions energy: -116.595
where: short stacking energy: -63.956
Base-Backbone interact. energy: -0.143
local terms energy: -69.895006
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -7.931
tors. eta vs tors. theta energy: -16.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -186.831587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.831587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.831587 (E_RNA)
where:
Base-Base interactions energy: -117.374
where: short stacking energy: -64.874
Base-Backbone interact. energy: -0.002
local terms energy: -69.455408
where:
bonds (distance) C4'-P energy: -11.789
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -15.424
flat angles P-C4'-P energy: -8.501
tors. eta vs tors. theta energy: -19.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -181.258485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.258485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.258485 (E_RNA)
where:
Base-Base interactions energy: -114.830
where: short stacking energy: -55.200
Base-Backbone interact. energy: -0.593
local terms energy: -65.835893
where:
bonds (distance) C4'-P energy: -9.230
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -15.594
flat angles P-C4'-P energy: -9.609
tors. eta vs tors. theta energy: -13.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -164.705053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.705053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.705053 (E_RNA)
where:
Base-Base interactions energy: -89.236
where: short stacking energy: -51.007
Base-Backbone interact. energy: -0.071
local terms energy: -75.398023
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -13.762
flat angles P-C4'-P energy: -9.719
tors. eta vs tors. theta energy: -18.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -162.474126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.474126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.474126 (E_RNA)
where:
Base-Base interactions energy: -96.464
where: short stacking energy: -52.628
Base-Backbone interact. energy: -0.356
local terms energy: -65.653851
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -10.050
flat angles C4'-P-C4' energy: -14.911
flat angles P-C4'-P energy: -13.339
tors. eta vs tors. theta energy: -13.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -147.612072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.612072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.612072 (E_RNA)
where:
Base-Base interactions energy: -84.870
where: short stacking energy: -45.256
Base-Backbone interact. energy: -0.143
local terms energy: -62.598879
where:
bonds (distance) C4'-P energy: -8.838
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -16.896
flat angles P-C4'-P energy: -7.324
tors. eta vs tors. theta energy: -13.191
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: 6
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -107.296120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.296120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.296120 (E_RNA)
where:
Base-Base interactions energy: -56.004
where: short stacking energy: -41.682
Base-Backbone interact. energy: -0.150
local terms energy: -51.142255
where:
bonds (distance) C4'-P energy: -9.281
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -10.789
flat angles P-C4'-P energy: -6.968
tors. eta vs tors. theta energy: -7.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -80.210782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.210782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.210782 (E_RNA)
where:
Base-Base interactions energy: -34.803
where: short stacking energy: -30.159
Base-Backbone interact. energy: -0.058
local terms energy: -45.350323
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -9.573
flat angles P-C4'-P energy: -7.925
tors. eta vs tors. theta energy: 1.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -77.562264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.562264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.562264 (E_RNA)
where:
Base-Base interactions energy: -35.227
where: short stacking energy: -20.946
Base-Backbone interact. energy: -0.285
local terms energy: -42.049823
where:
bonds (distance) C4'-P energy: -9.511
bonds (distance) P-C4' energy: -10.917
flat angles C4'-P-C4' energy: -14.158
flat angles P-C4'-P energy: -6.733
tors. eta vs tors. theta energy: -0.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -94.349404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.349404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.349404 (E_RNA)
where:
Base-Base interactions energy: -45.179
where: short stacking energy: -26.525
Base-Backbone interact. energy: -0.074
local terms energy: -49.096368
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -11.922
flat angles P-C4'-P energy: -9.325
tors. eta vs tors. theta energy: -0.403
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: 1, replica: 4
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -198.868992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.868992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.868992 (E_RNA)
where:
Base-Base interactions energy: -124.327
where: short stacking energy: -65.901
Base-Backbone interact. energy: -0.104
local terms energy: -74.437958
where:
bonds (distance) C4'-P energy: -17.245
bonds (distance) P-C4' energy: -11.889
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -11.230
tors. eta vs tors. theta energy: -19.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -188.010521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.010521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.010521 (E_RNA)
where:
Base-Base interactions energy: -118.385
where: short stacking energy: -55.022
Base-Backbone interact. energy: -0.093
local terms energy: -69.532779
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -12.104
flat angles P-C4'-P energy: -10.413
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: 3, replica: 8
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -170.040539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.040539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.040539 (E_RNA)
where:
Base-Base interactions energy: -99.242
where: short stacking energy: -50.623
Base-Backbone interact. energy: -0.072
local terms energy: -70.726987
where:
bonds (distance) C4'-P energy: -11.399
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -11.513
tors. eta vs tors. theta energy: -14.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -166.197525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.197525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.197525 (E_RNA)
where:
Base-Base interactions energy: -103.631
where: short stacking energy: -53.749
Base-Backbone interact. energy: -0.014
local terms energy: -62.553289
where:
bonds (distance) C4'-P energy: -12.106
bonds (distance) P-C4' energy: -16.514
flat angles C4'-P-C4' energy: -14.011
flat angles P-C4'-P energy: -8.636
tors. eta vs tors. theta energy: -11.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -139.550575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.550575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.550575 (E_RNA)
where:
Base-Base interactions energy: -77.040
where: short stacking energy: -43.366
Base-Backbone interact. energy: -0.071
local terms energy: -62.439221
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -18.133
flat angles C4'-P-C4' energy: -15.595
flat angles P-C4'-P energy: -4.833
tors. eta vs tors. theta energy: -10.372
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: 10
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -155.346357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.346357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.346357 (E_RNA)
where:
Base-Base interactions energy: -89.228
where: short stacking energy: -58.594
Base-Backbone interact. energy: -0.001
local terms energy: -66.116755
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -15.440
flat angles C4'-P-C4' energy: -14.335
flat angles P-C4'-P energy: -8.672
tors. eta vs tors. theta energy: -15.286
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: 1
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -84.578818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.578818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.578818 (E_RNA)
where:
Base-Base interactions energy: -36.658
where: short stacking energy: -25.722
Base-Backbone interact. energy: -0.026
local terms energy: -47.894682
where:
bonds (distance) C4'-P energy: -14.013
bonds (distance) P-C4' energy: -13.476
flat angles C4'-P-C4' energy: -10.967
flat angles P-C4'-P energy: -6.162
tors. eta vs tors. theta energy: -3.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -91.406964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.406964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.406964 (E_RNA)
where:
Base-Base interactions energy: -37.365
where: short stacking energy: -37.365
Base-Backbone interact. energy: -0.040
local terms energy: -54.002399
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -16.509
flat angles P-C4'-P energy: -5.908
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: 9, replica: 3
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -81.272308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.272308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.272308 (E_RNA)
where:
Base-Base interactions energy: -33.308
where: short stacking energy: -25.431
Base-Backbone interact. energy: -0.030
local terms energy: -47.933446
where:
bonds (distance) C4'-P energy: -14.011
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -9.438
flat angles P-C4'-P energy: -5.720
tors. eta vs tors. theta energy: -5.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -76.461062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.461062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.461062 (E_RNA)
where:
Base-Base interactions energy: -30.964
where: short stacking energy: -27.467
Base-Backbone interact. energy: -0.102
local terms energy: -45.394987
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -17.632
flat angles C4'-P-C4' energy: -10.017
flat angles P-C4'-P energy: -2.489
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: 1, replica: 4
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -196.183897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.183897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.183897 (E_RNA)
where:
Base-Base interactions energy: -119.853
where: short stacking energy: -68.486
Base-Backbone interact. energy: -0.411
local terms energy: -75.919286
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -17.780
flat angles P-C4'-P energy: -9.528
tors. eta vs tors. theta energy: -19.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -174.968242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.968242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.968242 (E_RNA)
where:
Base-Base interactions energy: -98.616
where: short stacking energy: -60.576
Base-Backbone interact. energy: 1.066
local terms energy: -77.417537
where:
bonds (distance) C4'-P energy: -17.423
bonds (distance) P-C4' energy: -17.743
flat angles C4'-P-C4' energy: -13.864
flat angles P-C4'-P energy: -10.149
tors. eta vs tors. theta energy: -18.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -185.812195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.812195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.812195 (E_RNA)
where:
Base-Base interactions energy: -116.051
where: short stacking energy: -57.080
Base-Backbone interact. energy: -0.436
local terms energy: -69.325750
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -14.523
flat angles P-C4'-P energy: -9.531
tors. eta vs tors. theta energy: -14.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -174.645416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.645416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.645416 (E_RNA)
where:
Base-Base interactions energy: -103.474
where: short stacking energy: -54.467
Base-Backbone interact. energy: -0.643
local terms energy: -70.528795
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -16.959
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -10.281
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: 5, replica: 7
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -155.451393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.451393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.451393 (E_RNA)
where:
Base-Base interactions energy: -98.453
where: short stacking energy: -57.117
Base-Backbone interact. energy: -0.464
local terms energy: -56.533933
where:
bonds (distance) C4'-P energy: -12.391
bonds (distance) P-C4' energy: -10.399
flat angles C4'-P-C4' energy: -12.863
flat angles P-C4'-P energy: -7.869
tors. eta vs tors. theta energy: -13.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -156.139675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.139675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.139675 (E_RNA)
where:
Base-Base interactions energy: -85.833
where: short stacking energy: -55.142
Base-Backbone interact. energy: -0.014
local terms energy: -70.293611
where:
bonds (distance) C4'-P energy: -16.197
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -17.428
flat angles P-C4'-P energy: -8.747
tors. eta vs tors. theta energy: -12.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -110.877891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.877891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.877891 (E_RNA)
where:
Base-Base interactions energy: -49.609
where: short stacking energy: -48.097
Base-Backbone interact. energy: -0.053
local terms energy: -61.216086
where:
bonds (distance) C4'-P energy: -10.539
bonds (distance) P-C4' energy: -14.372
flat angles C4'-P-C4' energy: -15.458
flat angles P-C4'-P energy: -6.449
tors. eta vs tors. theta energy: -14.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -97.574379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.574379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.574379 (E_RNA)
where:
Base-Base interactions energy: -37.896
where: short stacking energy: -36.559
Base-Backbone interact. energy: -0.196
local terms energy: -59.482091
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -13.054
flat angles C4'-P-C4' energy: -14.105
flat angles P-C4'-P energy: -10.069
tors. eta vs tors. theta energy: -7.182
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: 6
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -88.336126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.336126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.336126 (E_RNA)
where:
Base-Base interactions energy: -35.275
where: short stacking energy: -34.271
Base-Backbone interact. energy: -0.417
local terms energy: -52.643897
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -13.128
flat angles P-C4'-P energy: -7.521
tors. eta vs tors. theta energy: -2.947
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: 9
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -81.328211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.328211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.328211 (E_RNA)
where:
Base-Base interactions energy: -30.408
where: short stacking energy: -17.140
Base-Backbone interact. energy: -0.424
local terms energy: -50.495768
where:
bonds (distance) C4'-P energy: -15.696
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -0.718
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: 1, replica: 4
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -186.932164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.932164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.932164 (E_RNA)
where:
Base-Base interactions energy: -108.475
where: short stacking energy: -63.808
Base-Backbone interact. energy: -0.001
local terms energy: -78.456318
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -13.241
flat angles P-C4'-P energy: -11.066
tors. eta vs tors. theta energy: -20.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -173.926419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.926419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.926419 (E_RNA)
where:
Base-Base interactions energy: -102.834
where: short stacking energy: -64.097
Base-Backbone interact. energy: -0.856
local terms energy: -70.236837
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -14.607
flat angles C4'-P-C4' energy: -16.034
flat angles P-C4'-P energy: -9.272
tors. eta vs tors. theta energy: -14.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -201.290962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.290962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.290962 (E_RNA)
where:
Base-Base interactions energy: -131.646
where: short stacking energy: -63.823
Base-Backbone interact. energy: -0.089
local terms energy: -69.556006
where:
bonds (distance) C4'-P energy: -10.968
bonds (distance) P-C4' energy: -13.782
flat angles C4'-P-C4' energy: -16.085
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: -18.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -165.617916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.617916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.617916 (E_RNA)
where:
Base-Base interactions energy: -109.543
where: short stacking energy: -51.034
Base-Backbone interact. energy: -0.048
local terms energy: -56.026418
where:
bonds (distance) C4'-P energy: -11.768
bonds (distance) P-C4' energy: -12.742
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -5.971
tors. eta vs tors. theta energy: -11.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -161.206385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.206385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.206385 (E_RNA)
where:
Base-Base interactions energy: -93.887
where: short stacking energy: -54.307
Base-Backbone interact. energy: -0.108
local terms energy: -67.211442
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -16.551
flat angles C4'-P-C4' energy: -13.453
flat angles P-C4'-P energy: -8.089
tors. eta vs tors. theta energy: -12.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -146.270977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.270977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.270977 (E_RNA)
where:
Base-Base interactions energy: -80.107
where: short stacking energy: -43.173
Base-Backbone interact. energy: 2.610
local terms energy: -68.773842
where:
bonds (distance) C4'-P energy: -12.617
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -14.342
flat angles P-C4'-P energy: -11.112
tors. eta vs tors. theta energy: -12.697
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: 114
Temperature: 1.200000
Total energy: -85.073785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.073785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.073785 (E_RNA)
where:
Base-Base interactions energy: -33.166
where: short stacking energy: -25.145
Base-Backbone interact. energy: -0.180
local terms energy: -51.728637
where:
bonds (distance) C4'-P energy: -10.339
bonds (distance) P-C4' energy: -11.130
flat angles C4'-P-C4' energy: -12.569
flat angles P-C4'-P energy: -12.149
tors. eta vs tors. theta energy: -5.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -88.799593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.799593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.799593 (E_RNA)
where:
Base-Base interactions energy: -34.063
where: short stacking energy: -28.256
Base-Backbone interact. energy: -0.089
local terms energy: -54.646876
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -10.850
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: -2.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -79.127525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.127525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.127525 (E_RNA)
where:
Base-Base interactions energy: -34.416
where: short stacking energy: -30.581
Base-Backbone interact. energy: -0.654
local terms energy: -44.057530
where:
bonds (distance) C4'-P energy: -10.037
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -5.360
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -0.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -78.368727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.368727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.368727 (E_RNA)
where:
Base-Base interactions energy: -31.778
where: short stacking energy: -27.994
Base-Backbone interact. energy: -0.187
local terms energy: -46.403475
where:
bonds (distance) C4'-P energy: -14.304
bonds (distance) P-C4' energy: -11.230
flat angles C4'-P-C4' energy: -7.951
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -3.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -192.261584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.261584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.261584 (E_RNA)
where:
Base-Base interactions energy: -120.680
where: short stacking energy: -69.369
Base-Backbone interact. energy: -0.080
local terms energy: -71.501094
where:
bonds (distance) C4'-P energy: -12.036
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -15.526
flat angles P-C4'-P energy: -8.291
tors. eta vs tors. theta energy: -19.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -197.920952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.920952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.920952 (E_RNA)
where:
Base-Base interactions energy: -120.949
where: short stacking energy: -63.266
Base-Backbone interact. energy: -0.126
local terms energy: -76.846301
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -16.773
flat angles C4'-P-C4' energy: -15.854
flat angles P-C4'-P energy: -12.560
tors. eta vs tors. theta energy: -16.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -173.361295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.361295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.361295 (E_RNA)
where:
Base-Base interactions energy: -102.633
where: short stacking energy: -57.741
Base-Backbone interact. energy: -0.018
local terms energy: -70.710223
where:
bonds (distance) C4'-P energy: -10.223
bonds (distance) P-C4' energy: -16.461
flat angles C4'-P-C4' energy: -16.054
flat angles P-C4'-P energy: -11.817
tors. eta vs tors. theta energy: -16.155
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: 4, replica: 7
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -155.595027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.595027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.595027 (E_RNA)
where:
Base-Base interactions energy: -85.737
where: short stacking energy: -49.938
Base-Backbone interact. energy: -0.001
local terms energy: -69.857066
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -14.686
flat angles P-C4'-P energy: -10.977
tors. eta vs tors. theta energy: -16.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -165.130099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.130099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.130099 (E_RNA)
where:
Base-Base interactions energy: -108.471
where: short stacking energy: -45.690
Base-Backbone interact. energy: -0.277
local terms energy: -56.382505
where:
bonds (distance) C4'-P energy: -8.733
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -15.307
flat angles P-C4'-P energy: -4.896
tors. eta vs tors. theta energy: -9.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -142.299425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.299425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.299425 (E_RNA)
where:
Base-Base interactions energy: -81.336
where: short stacking energy: -37.397
Base-Backbone interact. energy: -0.154
local terms energy: -60.809112
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -13.606
flat angles P-C4'-P energy: -11.444
tors. eta vs tors. theta energy: -7.344
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: 7, replica: 1
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -97.688891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.688891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.688891 (E_RNA)
where:
Base-Base interactions energy: -57.038
where: short stacking energy: -33.589
Base-Backbone interact. energy: -0.209
local terms energy: -40.441693
where:
bonds (distance) C4'-P energy: -11.363
bonds (distance) P-C4' energy: -6.408
flat angles C4'-P-C4' energy: -9.985
flat angles P-C4'-P energy: -8.849
tors. eta vs tors. theta energy: -3.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -87.630168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.630168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.630168 (E_RNA)
where:
Base-Base interactions energy: -32.797
where: short stacking energy: -26.320
Base-Backbone interact. energy: -0.530
local terms energy: -54.302760
where:
bonds (distance) C4'-P energy: -13.629
bonds (distance) P-C4' energy: -18.233
flat angles C4'-P-C4' energy: -12.454
flat angles P-C4'-P energy: -8.691
tors. eta vs tors. theta energy: -1.296
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: 3
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -91.339824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.339824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.339824 (E_RNA)
where:
Base-Base interactions energy: -39.173
where: short stacking energy: -28.841
Base-Backbone interact. energy: -0.071
local terms energy: -52.095530
where:
bonds (distance) C4'-P energy: -11.316
bonds (distance) P-C4' energy: -15.106
flat angles C4'-P-C4' energy: -11.147
flat angles P-C4'-P energy: -9.964
tors. eta vs tors. theta energy: -4.563
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: 6
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -84.921584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.921584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.921584 (E_RNA)
where:
Base-Base interactions energy: -46.975
where: short stacking energy: -22.855
Base-Backbone interact. energy: 1.200
local terms energy: -39.146707
where:
bonds (distance) C4'-P energy: -10.344
bonds (distance) P-C4' energy: -11.244
flat angles C4'-P-C4' energy: -12.470
flat angles P-C4'-P energy: -7.658
tors. eta vs tors. theta energy: 2.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -205.213067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.213067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.213067 (E_RNA)
where:
Base-Base interactions energy: -137.542
where: short stacking energy: -61.030
Base-Backbone interact. energy: -0.004
local terms energy: -67.666668
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -13.323
flat angles C4'-P-C4' energy: -13.355
flat angles P-C4'-P energy: -8.575
tors. eta vs tors. theta energy: -17.304
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: 4
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -181.913810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.913810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.913810 (E_RNA)
where:
Base-Base interactions energy: -109.832
where: short stacking energy: -64.679
Base-Backbone interact. energy: -0.066
local terms energy: -72.015317
where:
bonds (distance) C4'-P energy: -11.512
bonds (distance) P-C4' energy: -17.406
flat angles C4'-P-C4' energy: -17.109
flat angles P-C4'-P energy: -9.660
tors. eta vs tors. theta energy: -16.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -179.797940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.797940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.797940 (E_RNA)
where:
Base-Base interactions energy: -106.655
where: short stacking energy: -61.567
Base-Backbone interact. energy: -1.162
local terms energy: -71.981031
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -13.654
flat angles C4'-P-C4' energy: -16.930
flat angles P-C4'-P energy: -11.479
tors. eta vs tors. theta energy: -16.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -171.979197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.979197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.979197 (E_RNA)
where:
Base-Base interactions energy: -97.362
where: short stacking energy: -60.500
Base-Backbone interact. energy: -0.206
local terms energy: -74.411059
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -17.135
flat angles C4'-P-C4' energy: -12.032
flat angles P-C4'-P energy: -8.974
tors. eta vs tors. theta energy: -21.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -155.107624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.107624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.107624 (E_RNA)
where:
Base-Base interactions energy: -99.267
where: short stacking energy: -45.378
Base-Backbone interact. energy: -0.348
local terms energy: -55.492503
where:
bonds (distance) C4'-P energy: -11.543
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -12.298
flat angles P-C4'-P energy: -10.010
tors. eta vs tors. theta energy: -7.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -145.603886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.603886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.603886 (E_RNA)
where:
Base-Base interactions energy: -88.945
where: short stacking energy: -55.466
Base-Backbone interact. energy: -0.011
local terms energy: -56.647133
where:
bonds (distance) C4'-P energy: -12.781
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -11.640
flat angles P-C4'-P energy: -5.502
tors. eta vs tors. theta energy: -14.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -87.120092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.120092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.120092 (E_RNA)
where:
Base-Base interactions energy: -33.660
where: short stacking energy: -31.589
Base-Backbone interact. energy: -0.335
local terms energy: -53.126013
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -13.005
flat angles C4'-P-C4' energy: -13.370
flat angles P-C4'-P energy: -6.534
tors. eta vs tors. theta energy: -5.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -86.933143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.933143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.933143 (E_RNA)
where:
Base-Base interactions energy: -39.948
where: short stacking energy: -33.260
Base-Backbone interact. energy: -1.479
local terms energy: -45.506436
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -9.704
flat angles C4'-P-C4' energy: -15.755
flat angles P-C4'-P energy: -1.344
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: 9, replica: 6
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -77.583500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.583500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.583500 (E_RNA)
where:
Base-Base interactions energy: -29.553
where: short stacking energy: -22.524
Base-Backbone interact. energy: -0.062
local terms energy: -47.968495
where:
bonds (distance) C4'-P energy: -8.476
bonds (distance) P-C4' energy: -15.585
flat angles C4'-P-C4' energy: -12.886
flat angles P-C4'-P energy: -9.761
tors. eta vs tors. theta energy: -1.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -84.918719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.918719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.918719 (E_RNA)
where:
Base-Base interactions energy: -42.294
where: short stacking energy: -37.752
Base-Backbone interact. energy: -0.085
local terms energy: -42.539569
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -12.031
flat angles C4'-P-C4' energy: -7.973
flat angles P-C4'-P energy: -7.610
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: 1, replica: 2
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -203.183574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.183574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.183574 (E_RNA)
where:
Base-Base interactions energy: -129.994
where: short stacking energy: -54.178
Base-Backbone interact. energy: -0.395
local terms energy: -72.793975
where:
bonds (distance) C4'-P energy: -15.875
bonds (distance) P-C4' energy: -13.115
flat angles C4'-P-C4' energy: -18.122
flat angles P-C4'-P energy: -8.306
tors. eta vs tors. theta energy: -17.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -166.949773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.949773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.949773 (E_RNA)
where:
Base-Base interactions energy: -96.793
where: short stacking energy: -55.832
Base-Backbone interact. energy: -3.227
local terms energy: -66.929799
where:
bonds (distance) C4'-P energy: -9.554
bonds (distance) P-C4' energy: -16.172
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -11.381
tors. eta vs tors. theta energy: -13.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -185.610539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.610539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.610539 (E_RNA)
where:
Base-Base interactions energy: -113.835
where: short stacking energy: -70.954
Base-Backbone interact. energy: -0.154
local terms energy: -71.621506
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -13.624
flat angles P-C4'-P energy: -9.187
tors. eta vs tors. theta energy: -17.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -156.050065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.050065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.050065 (E_RNA)
where:
Base-Base interactions energy: -89.412
where: short stacking energy: -49.931
Base-Backbone interact. energy: -0.010
local terms energy: -66.627467
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -12.064
flat angles C4'-P-C4' energy: -15.421
flat angles P-C4'-P energy: -14.776
tors. eta vs tors. theta energy: -10.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -155.151694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.151694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.151694 (E_RNA)
where:
Base-Base interactions energy: -85.882
where: short stacking energy: -47.912
Base-Backbone interact. energy: -1.193
local terms energy: -68.075944
where:
bonds (distance) C4'-P energy: -15.462
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -13.983
flat angles P-C4'-P energy: -10.828
tors. eta vs tors. theta energy: -12.585
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: 10
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -163.181074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.181074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.181074 (E_RNA)
where:
Base-Base interactions energy: -94.660
where: short stacking energy: -58.133
Base-Backbone interact. energy: 0.900
local terms energy: -69.420662
where:
bonds (distance) C4'-P energy: -14.720
bonds (distance) P-C4' energy: -12.441
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -11.756
tors. eta vs tors. theta energy: -16.023
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: 9
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -86.562281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.562281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.562281 (E_RNA)
where:
Base-Base interactions energy: -30.786
where: short stacking energy: -30.786
Base-Backbone interact. energy: -0.186
local terms energy: -55.589870
where:
bonds (distance) C4'-P energy: -16.400
bonds (distance) P-C4' energy: -13.062
flat angles C4'-P-C4' energy: -14.941
flat angles P-C4'-P energy: -5.992
tors. eta vs tors. theta energy: -5.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -86.960076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.960076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.960076 (E_RNA)
where:
Base-Base interactions energy: -38.921
where: short stacking energy: -26.950
Base-Backbone interact. energy: -0.037
local terms energy: -48.002187
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -10.930
flat angles C4'-P-C4' energy: -11.308
flat angles P-C4'-P energy: -5.428
tors. eta vs tors. theta energy: -7.795
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: 9, replica: 1
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -73.234915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.234915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.234915 (E_RNA)
where:
Base-Base interactions energy: -23.380
where: short stacking energy: -22.787
Base-Backbone interact. energy: -0.198
local terms energy: -49.657050
where:
bonds (distance) C4'-P energy: -10.687
bonds (distance) P-C4' energy: -11.141
flat angles C4'-P-C4' energy: -12.663
flat angles P-C4'-P energy: -10.364
tors. eta vs tors. theta energy: -4.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -80.257268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.257268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.257268 (E_RNA)
where:
Base-Base interactions energy: -35.650
where: short stacking energy: -31.973
Base-Backbone interact. energy: -0.078
local terms energy: -44.528846
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -11.125
flat angles C4'-P-C4' energy: -12.190
flat angles P-C4'-P energy: -5.595
tors. eta vs tors. theta energy: -2.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -211.939679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.939679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.939679 (E_RNA)
where:
Base-Base interactions energy: -147.361
where: short stacking energy: -62.980
Base-Backbone interact. energy: -0.102
local terms energy: -64.476816
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -13.343
flat angles P-C4'-P energy: -4.566
tors. eta vs tors. theta energy: -16.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -171.789204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.789204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.789204 (E_RNA)
where:
Base-Base interactions energy: -104.100
where: short stacking energy: -65.149
Base-Backbone interact. energy: -0.000
local terms energy: -67.688816
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -14.221
flat angles C4'-P-C4' energy: -14.191
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -15.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -173.360335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.360335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.360335 (E_RNA)
where:
Base-Base interactions energy: -97.821
where: short stacking energy: -51.566
Base-Backbone interact. energy: -0.597
local terms energy: -74.942171
where:
bonds (distance) C4'-P energy: -16.611
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -17.187
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: -13.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -172.854010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.854010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.854010 (E_RNA)
where:
Base-Base interactions energy: -102.168
where: short stacking energy: -54.151
Base-Backbone interact. energy: -0.108
local terms energy: -70.578629
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: -11.954
tors. eta vs tors. theta energy: -10.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -150.849235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.849235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.849235 (E_RNA)
where:
Base-Base interactions energy: -89.270
where: short stacking energy: -49.961
Base-Backbone interact. energy: 1.654
local terms energy: -63.232960
where:
bonds (distance) C4'-P energy: -13.601
bonds (distance) P-C4' energy: -11.856
flat angles C4'-P-C4' energy: -15.266
flat angles P-C4'-P energy: -10.410
tors. eta vs tors. theta energy: -12.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -154.658112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.658112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.658112 (E_RNA)
where:
Base-Base interactions energy: -87.604
where: short stacking energy: -55.585
Base-Backbone interact. energy: -0.078
local terms energy: -66.976261
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -8.821
flat angles P-C4'-P energy: -13.829
tors. eta vs tors. theta energy: -14.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -99.007641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.007641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.007641 (E_RNA)
where:
Base-Base interactions energy: -40.819
where: short stacking energy: -33.198
Base-Backbone interact. energy: 3.144
local terms energy: -61.332876
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -13.702
flat angles C4'-P-C4' energy: -11.518
flat angles P-C4'-P energy: -13.267
tors. eta vs tors. theta energy: -8.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -79.357016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.357016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.357016 (E_RNA)
where:
Base-Base interactions energy: -29.147
where: short stacking energy: -29.147
Base-Backbone interact. energy: -0.139
local terms energy: -50.071434
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -5.483
flat angles P-C4'-P energy: -12.055
tors. eta vs tors. theta energy: -2.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -80.882254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.882254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.882254 (E_RNA)
where:
Base-Base interactions energy: -37.428
where: short stacking energy: -31.678
Base-Backbone interact. energy: -0.145
local terms energy: -43.309972
where:
bonds (distance) C4'-P energy: -10.559
bonds (distance) P-C4' energy: -12.872
flat angles C4'-P-C4' energy: -12.349
flat angles P-C4'-P energy: -6.563
tors. eta vs tors. theta energy: -0.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -79.712863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.712863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.712863 (E_RNA)
where:
Base-Base interactions energy: -24.536
where: short stacking energy: -24.536
Base-Backbone interact. energy: -0.078
local terms energy: -55.099265
where:
bonds (distance) C4'-P energy: -12.743
bonds (distance) P-C4' energy: -16.189
flat angles C4'-P-C4' energy: -11.674
flat angles P-C4'-P energy: -10.948
tors. eta vs tors. theta energy: -3.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -207.919539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.919539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.919539 (E_RNA)
where:
Base-Base interactions energy: -137.691
where: short stacking energy: -54.200
Base-Backbone interact. energy: -0.039
local terms energy: -70.189002
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -14.133
flat angles C4'-P-C4' energy: -14.733
flat angles P-C4'-P energy: -14.537
tors. eta vs tors. theta energy: -10.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -180.483343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.483343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.483343 (E_RNA)
where:
Base-Base interactions energy: -108.010
where: short stacking energy: -68.299
Base-Backbone interact. energy: -0.289
local terms energy: -72.184338
where:
bonds (distance) C4'-P energy: -10.148
bonds (distance) P-C4' energy: -17.594
flat angles C4'-P-C4' energy: -17.389
flat angles P-C4'-P energy: -9.900
tors. eta vs tors. theta energy: -17.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -182.750431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.750431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.750431 (E_RNA)
where:
Base-Base interactions energy: -116.460
where: short stacking energy: -67.044
Base-Backbone interact. energy: -0.194
local terms energy: -66.096278
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -13.168
flat angles C4'-P-C4' energy: -15.030
flat angles P-C4'-P energy: -5.956
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: 5
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -165.938949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.938949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.938949 (E_RNA)
where:
Base-Base interactions energy: -107.638
where: short stacking energy: -56.374
Base-Backbone interact. energy: -0.006
local terms energy: -58.295591
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -10.533
flat angles P-C4'-P energy: -7.022
tors. eta vs tors. theta energy: -11.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -158.916495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.916495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.916495 (E_RNA)
where:
Base-Base interactions energy: -100.658
where: short stacking energy: -49.895
Base-Backbone interact. energy: -0.148
local terms energy: -58.110109
where:
bonds (distance) C4'-P energy: -10.108
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -16.369
flat angles P-C4'-P energy: -4.745
tors. eta vs tors. theta energy: -12.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -144.743813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.743813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.743813 (E_RNA)
where:
Base-Base interactions energy: -83.179
where: short stacking energy: -42.037
Base-Backbone interact. energy: -0.232
local terms energy: -61.332642
where:
bonds (distance) C4'-P energy: -10.120
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -15.900
flat angles P-C4'-P energy: -6.945
tors. eta vs tors. theta energy: -12.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -118.732035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.732035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.732035 (E_RNA)
where:
Base-Base interactions energy: -55.920
where: short stacking energy: -46.755
Base-Backbone interact. energy: -0.100
local terms energy: -62.712263
where:
bonds (distance) C4'-P energy: -9.862
bonds (distance) P-C4' energy: -16.343
flat angles C4'-P-C4' energy: -13.499
flat angles P-C4'-P energy: -11.026
tors. eta vs tors. theta energy: -11.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -79.082693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.082693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.082693 (E_RNA)
where:
Base-Base interactions energy: -35.356
where: short stacking energy: -35.356
Base-Backbone interact. energy: 0.811
local terms energy: -44.537533
where:
bonds (distance) C4'-P energy: -14.199
bonds (distance) P-C4' energy: -14.724
flat angles C4'-P-C4' energy: -7.198
flat angles P-C4'-P energy: -7.907
tors. eta vs tors. theta energy: -0.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -75.533169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.533169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.533169 (E_RNA)
where:
Base-Base interactions energy: -33.759
where: short stacking energy: -28.513
Base-Backbone interact. energy: -0.253
local terms energy: -41.521682
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -12.936
flat angles C4'-P-C4' energy: -10.579
flat angles P-C4'-P energy: -2.328
tors. eta vs tors. theta energy: -2.500
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: 1
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -85.153402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.153402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.153402 (E_RNA)
where:
Base-Base interactions energy: -34.027
where: short stacking energy: -34.127
Base-Backbone interact. energy: -0.073
local terms energy: -51.052837
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -13.362
flat angles C4'-P-C4' energy: -13.709
flat angles P-C4'-P energy: -7.187
tors. eta vs tors. theta energy: -4.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -187.865243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.865243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.865243 (E_RNA)
where:
Base-Base interactions energy: -106.800
where: short stacking energy: -69.744
Base-Backbone interact. energy: -0.001
local terms energy: -81.064148
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -13.756
flat angles C4'-P-C4' energy: -16.576
flat angles P-C4'-P energy: -12.578
tors. eta vs tors. theta energy: -21.928
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: 2
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -205.264064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.264064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.264064 (E_RNA)
where:
Base-Base interactions energy: -136.312
where: short stacking energy: -61.079
Base-Backbone interact. energy: -0.758
local terms energy: -68.194367
where:
bonds (distance) C4'-P energy: -13.447
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -13.675
flat angles P-C4'-P energy: -10.310
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: 3, replica: 8
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -165.901761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.901761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.901761 (E_RNA)
where:
Base-Base interactions energy: -101.489
where: short stacking energy: -55.355
Base-Backbone interact. energy: -0.020
local terms energy: -64.392523
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -13.650
flat angles C4'-P-C4' energy: -16.633
flat angles P-C4'-P energy: -7.767
tors. eta vs tors. theta energy: -13.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -175.287044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.287044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.287044 (E_RNA)
where:
Base-Base interactions energy: -112.653
where: short stacking energy: -56.118
Base-Backbone interact. energy: -0.035
local terms energy: -62.599488
where:
bonds (distance) C4'-P energy: -12.657
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -10.946
flat angles P-C4'-P energy: -9.737
tors. eta vs tors. theta energy: -14.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -152.998772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.998772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.998772 (E_RNA)
where:
Base-Base interactions energy: -86.500
where: short stacking energy: -50.755
Base-Backbone interact. energy: -1.342
local terms energy: -65.156536
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -14.513
flat angles P-C4'-P energy: -13.020
tors. eta vs tors. theta energy: -8.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -146.036689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.036689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.036689 (E_RNA)
where:
Base-Base interactions energy: -87.271
where: short stacking energy: -52.680
Base-Backbone interact. energy: -0.684
local terms energy: -58.081708
where:
bonds (distance) C4'-P energy: -17.381
bonds (distance) P-C4' energy: -8.626
flat angles C4'-P-C4' energy: -7.832
flat angles P-C4'-P energy: -9.395
tors. eta vs tors. theta energy: -14.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -99.823552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.823552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.823552 (E_RNA)
where:
Base-Base interactions energy: -42.571
where: short stacking energy: -41.345
Base-Backbone interact. energy: -0.568
local terms energy: -56.685377
where:
bonds (distance) C4'-P energy: -10.107
bonds (distance) P-C4' energy: -13.231
flat angles C4'-P-C4' energy: -14.465
flat angles P-C4'-P energy: -8.429
tors. eta vs tors. theta energy: -10.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -89.764508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.764508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.764508 (E_RNA)
where:
Base-Base interactions energy: -36.747
where: short stacking energy: -35.092
Base-Backbone interact. energy: -0.151
local terms energy: -52.866616
where:
bonds (distance) C4'-P energy: -13.844
bonds (distance) P-C4' energy: -15.417
flat angles C4'-P-C4' energy: -11.871
flat angles P-C4'-P energy: -6.882
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: 1
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -83.514576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.514576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.514576 (E_RNA)
where:
Base-Base interactions energy: -39.934
where: short stacking energy: -20.716
Base-Backbone interact. energy: 1.257
local terms energy: -44.838139
where:
bonds (distance) C4'-P energy: -11.152
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -9.995
flat angles P-C4'-P energy: -4.986
tors. eta vs tors. theta energy: -1.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -80.667065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.667065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.667065 (E_RNA)
where:
Base-Base interactions energy: -30.657
where: short stacking energy: -26.024
Base-Backbone interact. energy: -0.105
local terms energy: -49.904877
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -14.895
flat angles C4'-P-C4' energy: -12.226
flat angles P-C4'-P energy: -7.801
tors. eta vs tors. theta energy: -1.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -188.021753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.021753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.021753 (E_RNA)
where:
Base-Base interactions energy: -113.233
where: short stacking energy: -72.477
Base-Backbone interact. energy: -0.081
local terms energy: -74.707684
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -16.434
flat angles P-C4'-P energy: -10.838
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: 2, replica: 2
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -197.477635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.477635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.477635 (E_RNA)
where:
Base-Base interactions energy: -134.596
where: short stacking energy: -59.272
Base-Backbone interact. energy: -0.062
local terms energy: -62.819283
where:
bonds (distance) C4'-P energy: -10.782
bonds (distance) P-C4' energy: -13.021
flat angles C4'-P-C4' energy: -13.725
flat angles P-C4'-P energy: -9.704
tors. eta vs tors. theta energy: -15.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -172.603556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.603556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.603556 (E_RNA)
where:
Base-Base interactions energy: -109.755
where: short stacking energy: -55.663
Base-Backbone interact. energy: 0.052
local terms energy: -62.900810
where:
bonds (distance) C4'-P energy: -16.520
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -8.670
tors. eta vs tors. theta energy: -6.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -192.575466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.575466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.575466 (E_RNA)
where:
Base-Base interactions energy: -130.080
where: short stacking energy: -56.310
Base-Backbone interact. energy: -0.007
local terms energy: -62.488597
where:
bonds (distance) C4'-P energy: -11.200
bonds (distance) P-C4' energy: -13.369
flat angles C4'-P-C4' energy: -12.790
flat angles P-C4'-P energy: -9.349
tors. eta vs tors. theta energy: -15.780
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: 10
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -131.942193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.942193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.942193 (E_RNA)
where:
Base-Base interactions energy: -74.372
where: short stacking energy: -40.737
Base-Backbone interact. energy: -0.144
local terms energy: -57.426967
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -12.911
flat angles P-C4'-P energy: -9.596
tors. eta vs tors. theta energy: -6.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -150.832005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.832005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.832005 (E_RNA)
where:
Base-Base interactions energy: -85.194
where: short stacking energy: -41.398
Base-Backbone interact. energy: -0.546
local terms energy: -65.092168
where:
bonds (distance) C4'-P energy: -11.296
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -12.600
flat angles P-C4'-P energy: -9.975
tors. eta vs tors. theta energy: -14.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -111.532083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.532083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.532083 (E_RNA)
where:
Base-Base interactions energy: -60.652
where: short stacking energy: -47.381
Base-Backbone interact. energy: -0.009
local terms energy: -50.870766
where:
bonds (distance) C4'-P energy: -9.503
bonds (distance) P-C4' energy: -13.984
flat angles C4'-P-C4' energy: -9.993
flat angles P-C4'-P energy: -9.972
tors. eta vs tors. theta energy: -7.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -89.938104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.938104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.938104 (E_RNA)
where:
Base-Base interactions energy: -35.076
where: short stacking energy: -34.122
Base-Backbone interact. energy: -0.154
local terms energy: -54.708534
where:
bonds (distance) C4'-P energy: -10.264
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -14.608
flat angles P-C4'-P energy: -8.251
tors. eta vs tors. theta energy: -5.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -78.457379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.457379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.457379 (E_RNA)
where:
Base-Base interactions energy: -30.503
where: short stacking energy: -26.174
Base-Backbone interact. energy: -0.215
local terms energy: -47.739277
where:
bonds (distance) C4'-P energy: -9.753
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -11.943
flat angles P-C4'-P energy: -9.888
tors. eta vs tors. theta energy: -0.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -90.039248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.039248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.039248 (E_RNA)
where:
Base-Base interactions energy: -40.560
where: short stacking energy: -39.315
Base-Backbone interact. energy: -0.080
local terms energy: -49.399096
where:
bonds (distance) C4'-P energy: -10.994
bonds (distance) P-C4' energy: -11.636
flat angles C4'-P-C4' energy: -14.560
flat angles P-C4'-P energy: -7.152
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: 1, replica: 2
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -209.370558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.370558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.370558 (E_RNA)
where:
Base-Base interactions energy: -137.373
where: short stacking energy: -62.646
Base-Backbone interact. energy: -1.559
local terms energy: -70.437835
where:
bonds (distance) C4'-P energy: -16.579
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -11.838
flat angles P-C4'-P energy: -10.880
tors. eta vs tors. theta energy: -14.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -184.196806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.196806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.196806 (E_RNA)
where:
Base-Base interactions energy: -111.380
where: short stacking energy: -73.123
Base-Backbone interact. energy: -0.006
local terms energy: -72.811220
where:
bonds (distance) C4'-P energy: -14.127
bonds (distance) P-C4' energy: -12.089
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -12.591
tors. eta vs tors. theta energy: -19.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -195.577198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.577198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.577198 (E_RNA)
where:
Base-Base interactions energy: -126.395
where: short stacking energy: -61.888
Base-Backbone interact. energy: -0.180
local terms energy: -69.002146
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -13.167
flat angles C4'-P-C4' energy: -17.259
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -16.632
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: 8
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -160.783054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.783054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.783054 (E_RNA)
where:
Base-Base interactions energy: -96.595
where: short stacking energy: -57.567
Base-Backbone interact. energy: -0.019
local terms energy: -64.169295
where:
bonds (distance) C4'-P energy: -17.427
bonds (distance) P-C4' energy: -13.653
flat angles C4'-P-C4' energy: -11.047
flat angles P-C4'-P energy: -11.502
tors. eta vs tors. theta energy: -10.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -110.212565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.212565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.212565 (E_RNA)
where:
Base-Base interactions energy: -48.286
where: short stacking energy: -41.239
Base-Backbone interact. energy: -0.114
local terms energy: -61.811984
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -13.932
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -11.004
tors. eta vs tors. theta energy: -7.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -145.671832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.671832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.671832 (E_RNA)
where:
Base-Base interactions energy: -91.064
where: short stacking energy: -46.951
Base-Backbone interact. energy: -0.138
local terms energy: -54.469821
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -14.837
flat angles P-C4'-P energy: -5.639
tors. eta vs tors. theta energy: -6.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -112.022294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.022294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.022294 (E_RNA)
where:
Base-Base interactions energy: -47.189
where: short stacking energy: -46.544
Base-Backbone interact. energy: -1.483
local terms energy: -63.350967
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -10.787
flat angles P-C4'-P energy: -5.479
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: 8, replica: 3
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -84.564973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.564973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.564973 (E_RNA)
where:
Base-Base interactions energy: -38.904
where: short stacking energy: -35.177
Base-Backbone interact. energy: 0.370
local terms energy: -46.031759
where:
bonds (distance) C4'-P energy: -9.519
bonds (distance) P-C4' energy: -13.117
flat angles C4'-P-C4' energy: -7.597
flat angles P-C4'-P energy: -13.085
tors. eta vs tors. theta energy: -2.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -91.205138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.205138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.205138 (E_RNA)
where:
Base-Base interactions energy: -32.375
where: short stacking energy: -31.103
Base-Backbone interact. energy: -0.208
local terms energy: -58.621762
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -13.258
flat angles P-C4'-P energy: -6.385
tors. eta vs tors. theta energy: -6.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -77.039166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.039166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.039166 (E_RNA)
where:
Base-Base interactions energy: -28.770
where: short stacking energy: -24.422
Base-Backbone interact. energy: -0.166
local terms energy: -48.103211
where:
bonds (distance) C4'-P energy: -15.123
bonds (distance) P-C4' energy: -15.407
flat angles C4'-P-C4' energy: -11.988
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: 3.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -207.221167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.221167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.221167 (E_RNA)
where:
Base-Base interactions energy: -134.197
where: short stacking energy: -54.424
Base-Backbone interact. energy: 0.011
local terms energy: -73.035269
where:
bonds (distance) C4'-P energy: -17.427
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -16.851
flat angles P-C4'-P energy: -9.148
tors. eta vs tors. theta energy: -12.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -190.904938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.904938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.904938 (E_RNA)
where:
Base-Base interactions energy: -114.166
where: short stacking energy: -63.266
Base-Backbone interact. energy: -1.651
local terms energy: -75.087350
where:
bonds (distance) C4'-P energy: -16.565
bonds (distance) P-C4' energy: -13.499
flat angles C4'-P-C4' energy: -17.046
flat angles P-C4'-P energy: -8.525
tors. eta vs tors. theta energy: -19.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -166.511589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.511589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.511589 (E_RNA)
where:
Base-Base interactions energy: -107.740
where: short stacking energy: -64.156
Base-Backbone interact. energy: -0.038
local terms energy: -58.733912
where:
bonds (distance) C4'-P energy: -8.698
bonds (distance) P-C4' energy: -13.241
flat angles C4'-P-C4' energy: -11.584
flat angles P-C4'-P energy: -11.340
tors. eta vs tors. theta energy: -13.871
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: 4, replica: 8
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -157.081294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.081294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.081294 (E_RNA)
where:
Base-Base interactions energy: -100.147
where: short stacking energy: -59.567
Base-Backbone interact. energy: 0.411
local terms energy: -57.346040
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -8.696
flat angles C4'-P-C4' energy: -12.305
flat angles P-C4'-P energy: -9.543
tors. eta vs tors. theta energy: -12.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -135.821383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.821383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.821383 (E_RNA)
where:
Base-Base interactions energy: -83.283
where: short stacking energy: -49.030
Base-Backbone interact. energy: -0.856
local terms energy: -51.682304
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -8.477
flat angles C4'-P-C4' energy: -12.602
flat angles P-C4'-P energy: -9.268
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: 6, replica: 1
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -99.721968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.721968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.721968 (E_RNA)
where:
Base-Base interactions energy: -41.076
where: short stacking energy: -39.993
Base-Backbone interact. energy: -0.256
local terms energy: -58.390104
where:
bonds (distance) C4'-P energy: -9.416
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -10.688
flat angles P-C4'-P energy: -10.534
tors. eta vs tors. theta energy: -10.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -90.163528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.163528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.163528 (E_RNA)
where:
Base-Base interactions energy: -33.354
where: short stacking energy: -33.554
Base-Backbone interact. energy: -0.217
local terms energy: -56.592329
where:
bonds (distance) C4'-P energy: -13.533
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -11.116
flat angles P-C4'-P energy: -8.698
tors. eta vs tors. theta energy: -8.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -97.005901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.005901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.005901 (E_RNA)
where:
Base-Base interactions energy: -47.348
where: short stacking energy: -29.453
Base-Backbone interact. energy: -0.158
local terms energy: -49.499809
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -13.259
flat angles C4'-P-C4' energy: -12.813
flat angles P-C4'-P energy: -7.709
tors. eta vs tors. theta energy: -1.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -85.643882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.643882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.643882 (E_RNA)
where:
Base-Base interactions energy: -41.561
where: short stacking energy: -35.366
Base-Backbone interact. energy: -0.163
local terms energy: -43.919894
where:
bonds (distance) C4'-P energy: -10.334
bonds (distance) P-C4' energy: -13.590
flat angles C4'-P-C4' energy: -7.166
flat angles P-C4'-P energy: -8.753
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: 10, replica: 6
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -76.790232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.790232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.790232 (E_RNA)
where:
Base-Base interactions energy: -28.937
where: short stacking energy: -22.993
Base-Backbone interact. energy: -0.241
local terms energy: -47.611615
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -7.991
flat angles P-C4'-P energy: -6.090
tors. eta vs tors. theta energy: -3.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -201.425547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.425547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.425547 (E_RNA)
where:
Base-Base interactions energy: -135.266
where: short stacking energy: -55.077
Base-Backbone interact. energy: -0.487
local terms energy: -65.672471
where:
bonds (distance) C4'-P energy: -15.091
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -13.402
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -11.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -194.198804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.198804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.198804 (E_RNA)
where:
Base-Base interactions energy: -115.086
where: short stacking energy: -63.103
Base-Backbone interact. energy: -0.117
local terms energy: -78.996084
where:
bonds (distance) C4'-P energy: -15.650
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -16.709
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -18.449
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: 8
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -173.678893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.678893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.678893 (E_RNA)
where:
Base-Base interactions energy: -106.090
where: short stacking energy: -60.516
Base-Backbone interact. energy: -0.002
local terms energy: -67.587270
where:
bonds (distance) C4'-P energy: -12.983
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -13.725
flat angles P-C4'-P energy: -12.371
tors. eta vs tors. theta energy: -13.606
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: 4
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -148.940210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.940210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.940210 (E_RNA)
where:
Base-Base interactions energy: -86.625
where: short stacking energy: -44.763
Base-Backbone interact. energy: -0.100
local terms energy: -62.215498
where:
bonds (distance) C4'-P energy: -16.178
bonds (distance) P-C4' energy: -13.478
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -6.820
tors. eta vs tors. theta energy: -9.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -165.862683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.862683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.862683 (E_RNA)
where:
Base-Base interactions energy: -106.928
where: short stacking energy: -48.306
Base-Backbone interact. energy: -0.006
local terms energy: -58.929322
where:
bonds (distance) C4'-P energy: -13.311
bonds (distance) P-C4' energy: -14.118
flat angles C4'-P-C4' energy: -10.157
flat angles P-C4'-P energy: -8.038
tors. eta vs tors. theta energy: -13.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -109.760350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.760350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.760350 (E_RNA)
where:
Base-Base interactions energy: -52.356
where: short stacking energy: -50.668
Base-Backbone interact. energy: -0.219
local terms energy: -57.184856
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -13.490
flat angles C4'-P-C4' energy: -9.758
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: -8.941
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: 9
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -90.281816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.281816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.281816 (E_RNA)
where:
Base-Base interactions energy: -36.833
where: short stacking energy: -28.170
Base-Backbone interact. energy: -0.082
local terms energy: -53.367442
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -14.837
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -1.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -91.638858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.638858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.638858 (E_RNA)
where:
Base-Base interactions energy: -38.988
where: short stacking energy: -37.701
Base-Backbone interact. energy: -0.426
local terms energy: -52.224894
where:
bonds (distance) C4'-P energy: -11.648
bonds (distance) P-C4' energy: -15.024
flat angles C4'-P-C4' energy: -12.709
flat angles P-C4'-P energy: -10.383
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)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -99.134749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.134749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.134749 (E_RNA)
where:
Base-Base interactions energy: -33.573
where: short stacking energy: -30.931
Base-Backbone interact. energy: -0.139
local terms energy: -65.423158
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -18.197
flat angles C4'-P-C4' energy: -17.468
flat angles P-C4'-P energy: -7.595
tors. eta vs tors. theta energy: -7.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -73.201316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.201316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.201316 (E_RNA)
where:
Base-Base interactions energy: -23.936
where: short stacking energy: -22.895
Base-Backbone interact. energy: 0.962
local terms energy: -50.227219
where:
bonds (distance) C4'-P energy: -11.504
bonds (distance) P-C4' energy: -14.375
flat angles C4'-P-C4' energy: -13.355
flat angles P-C4'-P energy: -9.394
tors. eta vs tors. theta energy: -1.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -211.449897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.449897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.449897 (E_RNA)
where:
Base-Base interactions energy: -138.305
where: short stacking energy: -66.257
Base-Backbone interact. energy: -0.016
local terms energy: -73.128837
where:
bonds (distance) C4'-P energy: -16.323
bonds (distance) P-C4' energy: -13.022
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -10.565
tors. eta vs tors. theta energy: -17.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -171.310067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.310067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.310067 (E_RNA)
where:
Base-Base interactions energy: -101.946
where: short stacking energy: -58.493
Base-Backbone interact. energy: -0.072
local terms energy: -69.292712
where:
bonds (distance) C4'-P energy: -14.813
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -17.349
flat angles P-C4'-P energy: -8.998
tors. eta vs tors. theta energy: -13.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -190.603806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.603806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.603806 (E_RNA)
where:
Base-Base interactions energy: -118.242
where: short stacking energy: -60.897
Base-Backbone interact. energy: -0.305
local terms energy: -72.057032
where:
bonds (distance) C4'-P energy: -15.930
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -14.500
flat angles P-C4'-P energy: -9.339
tors. eta vs tors. theta energy: -17.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -173.779312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.779312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.779312 (E_RNA)
where:
Base-Base interactions energy: -102.665
where: short stacking energy: -57.788
Base-Backbone interact. energy: -0.062
local terms energy: -71.052425
where:
bonds (distance) C4'-P energy: -12.611
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -15.884
flat angles P-C4'-P energy: -12.127
tors. eta vs tors. theta energy: -14.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -160.095386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.095386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.095386 (E_RNA)
where:
Base-Base interactions energy: -98.584
where: short stacking energy: -54.395
Base-Backbone interact. energy: 2.039
local terms energy: -63.549670
where:
bonds (distance) C4'-P energy: -15.122
bonds (distance) P-C4' energy: -14.748
flat angles C4'-P-C4' energy: -15.371
flat angles P-C4'-P energy: -6.306
tors. eta vs tors. theta energy: -12.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -102.475824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.475824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.475824 (E_RNA)
where:
Base-Base interactions energy: -49.827
where: short stacking energy: -32.466
Base-Backbone interact. energy: 0.113
local terms energy: -52.761846
where:
bonds (distance) C4'-P energy: -12.438
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -10.029
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -4.458
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: 7, replica: 9
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -99.186755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.186755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.186755 (E_RNA)
where:
Base-Base interactions energy: -39.329
where: short stacking energy: -31.792
Base-Backbone interact. energy: -0.356
local terms energy: -59.502291
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -13.153
flat angles P-C4'-P energy: -10.975
tors. eta vs tors. theta energy: -4.887
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: 6
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -89.598963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.598963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.598963 (E_RNA)
where:
Base-Base interactions energy: -27.965
where: short stacking energy: -19.999
Base-Backbone interact. energy: -0.131
local terms energy: -61.502837
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -18.003
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -10.505
tors. eta vs tors. theta energy: -2.424
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: 10
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -86.285699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.285699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.285699 (E_RNA)
where:
Base-Base interactions energy: -36.753
where: short stacking energy: -34.854
Base-Backbone interact. energy: 0.246
local terms energy: -49.778715
where:
bonds (distance) C4'-P energy: -11.715
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -8.335
flat angles P-C4'-P energy: -10.856
tors. eta vs tors. theta energy: -4.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -81.949006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.949006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.949006 (E_RNA)
where:
Base-Base interactions energy: -35.829
where: short stacking energy: -23.466
Base-Backbone interact. energy: -0.096
local terms energy: -46.024059
where:
bonds (distance) C4'-P energy: -16.296
bonds (distance) P-C4' energy: -10.316
flat angles C4'-P-C4' energy: -11.477
flat angles P-C4'-P energy: -6.486
tors. eta vs tors. theta energy: -1.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -209.555226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.555226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.555226 (E_RNA)
where:
Base-Base interactions energy: -138.169
where: short stacking energy: -60.428
Base-Backbone interact. energy: -0.032
local terms energy: -71.354667
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -16.594
flat angles P-C4'-P energy: -8.769
tors. eta vs tors. theta energy: -14.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -178.989506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.989506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.989506 (E_RNA)
where:
Base-Base interactions energy: -106.057
where: short stacking energy: -65.283
Base-Backbone interact. energy: -0.001
local terms energy: -72.931554
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -17.779
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -9.267
tors. eta vs tors. theta energy: -16.671
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: 7
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -179.115877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.115877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.115877 (E_RNA)
where:
Base-Base interactions energy: -112.095
where: short stacking energy: -54.989
Base-Backbone interact. energy: -0.097
local terms energy: -66.923595
where:
bonds (distance) C4'-P energy: -15.262
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -15.149
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -12.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -185.305179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.305179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.305179 (E_RNA)
where:
Base-Base interactions energy: -123.831
where: short stacking energy: -60.334
Base-Backbone interact. energy: -0.022
local terms energy: -61.452372
where:
bonds (distance) C4'-P energy: -8.209
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -12.782
flat angles P-C4'-P energy: -10.042
tors. eta vs tors. theta energy: -14.955
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: 5, replica: 4
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -172.845949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.845949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.845949 (E_RNA)
where:
Base-Base interactions energy: -97.431
where: short stacking energy: -55.338
Base-Backbone interact. energy: -0.033
local terms energy: -75.382669
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -16.320
flat angles P-C4'-P energy: -12.544
tors. eta vs tors. theta energy: -16.124
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: 1
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -84.660920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.660920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.660920 (E_RNA)
where:
Base-Base interactions energy: -35.820
where: short stacking energy: -35.820
Base-Backbone interact. energy: -0.284
local terms energy: -48.556954
where:
bonds (distance) C4'-P energy: -9.759
bonds (distance) P-C4' energy: -13.412
flat angles C4'-P-C4' energy: -12.785
flat angles P-C4'-P energy: -9.673
tors. eta vs tors. theta energy: -2.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -88.373763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.373763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.373763 (E_RNA)
where:
Base-Base interactions energy: -38.124
where: short stacking energy: -27.092
Base-Backbone interact. energy: -0.327
local terms energy: -49.922486
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -9.991
flat angles P-C4'-P energy: -8.717
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: 9
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -97.790360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.790360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.790360 (E_RNA)
where:
Base-Base interactions energy: -41.464
where: short stacking energy: -29.493
Base-Backbone interact. energy: -0.125
local terms energy: -56.202179
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -14.858
flat angles P-C4'-P energy: -8.769
tors. eta vs tors. theta energy: -4.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -97.899207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.899207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.899207 (E_RNA)
where:
Base-Base interactions energy: -46.663
where: short stacking energy: -30.744
Base-Backbone interact. energy: -0.268
local terms energy: -50.968014
where:
bonds (distance) C4'-P energy: -10.186
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -13.970
flat angles P-C4'-P energy: -9.356
tors. eta vs tors. theta energy: -1.050
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: 10
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -75.481128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.481128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.481128 (E_RNA)
where:
Base-Base interactions energy: -28.764
where: short stacking energy: -25.261
Base-Backbone interact. energy: -0.160
local terms energy: -46.557065
where:
bonds (distance) C4'-P energy: -9.428
bonds (distance) P-C4' energy: -11.502
flat angles C4'-P-C4' energy: -9.224
flat angles P-C4'-P energy: -12.685
tors. eta vs tors. theta energy: -3.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -209.304860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.304860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.304860 (E_RNA)
where:
Base-Base interactions energy: -135.598
where: short stacking energy: -56.938
Base-Backbone interact. energy: 1.300
local terms energy: -75.006364
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -16.037
flat angles C4'-P-C4' energy: -14.303
flat angles P-C4'-P energy: -12.452
tors. eta vs tors. theta energy: -15.330
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: 8
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -179.220252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.220252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.220252 (E_RNA)
where:
Base-Base interactions energy: -116.707
where: short stacking energy: -58.582
Base-Backbone interact. energy: -0.099
local terms energy: -62.414360
where:
bonds (distance) C4'-P energy: -11.043
bonds (distance) P-C4' energy: -11.992
flat angles C4'-P-C4' energy: -11.634
flat angles P-C4'-P energy: -8.467
tors. eta vs tors. theta energy: -19.278
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: 7
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -177.835844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.835844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.835844 (E_RNA)
where:
Base-Base interactions energy: -115.532
where: short stacking energy: -49.621
Base-Backbone interact. energy: -0.569
local terms energy: -61.734541
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -17.312
flat angles P-C4'-P energy: -6.535
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: 5
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -174.768324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.768324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.768324 (E_RNA)
where:
Base-Base interactions energy: -112.445
where: short stacking energy: -52.975
Base-Backbone interact. energy: -0.090
local terms energy: -62.233160
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -9.232
flat angles C4'-P-C4' energy: -11.946
flat angles P-C4'-P energy: -12.561
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: 5, replica: 4
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -160.273613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.273613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.273613 (E_RNA)
where:
Base-Base interactions energy: -107.026
where: short stacking energy: -48.002
Base-Backbone interact. energy: 1.597
local terms energy: -54.844157
where:
bonds (distance) C4'-P energy: -13.382
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -8.200
flat angles P-C4'-P energy: -8.832
tors. eta vs tors. theta energy: -9.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -94.993232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.993232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.993232 (E_RNA)
where:
Base-Base interactions energy: -38.779
where: short stacking energy: -37.505
Base-Backbone interact. energy: -0.125
local terms energy: -56.089702
where:
bonds (distance) C4'-P energy: -14.085
bonds (distance) P-C4' energy: -14.816
flat angles C4'-P-C4' energy: -11.686
flat angles P-C4'-P energy: -11.889
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: 7, replica: 1
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -95.340651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.340651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.340651 (E_RNA)
where:
Base-Base interactions energy: -43.376
where: short stacking energy: -29.983
Base-Backbone interact. energy: -0.165
local terms energy: -51.799999
where:
bonds (distance) C4'-P energy: -10.885
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -13.858
flat angles P-C4'-P energy: -5.031
tors. eta vs tors. theta energy: -7.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -91.673154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.673154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.673154 (E_RNA)
where:
Base-Base interactions energy: -40.953
where: short stacking energy: -24.774
Base-Backbone interact. energy: -0.457
local terms energy: -50.263732
where:
bonds (distance) C4'-P energy: -14.915
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -12.666
flat angles P-C4'-P energy: -6.520
tors. eta vs tors. theta energy: 0.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -80.406221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.406221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.406221 (E_RNA)
where:
Base-Base interactions energy: -32.717
where: short stacking energy: -32.717
Base-Backbone interact. energy: -0.042
local terms energy: -47.647514
where:
bonds (distance) C4'-P energy: -11.921
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -8.358
flat angles P-C4'-P energy: -7.537
tors. eta vs tors. theta energy: -2.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -74.770029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.770029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.770029 (E_RNA)
where:
Base-Base interactions energy: -29.880
where: short stacking energy: -26.861
Base-Backbone interact. energy: -0.567
local terms energy: -44.323024
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -7.886
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -8.848
tors. eta vs tors. theta energy: 0.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -174.684445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.684445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.684445 (E_RNA)
where:
Base-Base interactions energy: -105.054
where: short stacking energy: -64.832
Base-Backbone interact. energy: -0.024
local terms energy: -69.606756
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -14.085
flat angles C4'-P-C4' energy: -14.942
flat angles P-C4'-P energy: -9.500
tors. eta vs tors. theta energy: -15.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -195.247252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.247252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.247252 (E_RNA)
where:
Base-Base interactions energy: -125.396
where: short stacking energy: -59.636
Base-Backbone interact. energy: -0.259
local terms energy: -69.592539
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -14.595
flat angles P-C4'-P energy: -11.487
tors. eta vs tors. theta energy: -14.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -183.091046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.091046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.091046 (E_RNA)
where:
Base-Base interactions energy: -109.922
where: short stacking energy: -62.012
Base-Backbone interact. energy: -0.295
local terms energy: -72.873943
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -14.488
flat angles C4'-P-C4' energy: -16.376
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: -16.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -155.679333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.679333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.679333 (E_RNA)
where:
Base-Base interactions energy: -95.347
where: short stacking energy: -46.415
Base-Backbone interact. energy: -0.020
local terms energy: -60.312904
where:
bonds (distance) C4'-P energy: -15.325
bonds (distance) P-C4' energy: -10.207
flat angles C4'-P-C4' energy: -13.827
flat angles P-C4'-P energy: -10.986
tors. eta vs tors. theta energy: -9.968
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: 5, replica: 4
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -133.398964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.398964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.398964 (E_RNA)
where:
Base-Base interactions energy: -83.342
where: short stacking energy: -36.145
Base-Backbone interact. energy: -0.418
local terms energy: -49.638379
where:
bonds (distance) C4'-P energy: -10.415
bonds (distance) P-C4' energy: -12.168
flat angles C4'-P-C4' energy: -12.769
flat angles P-C4'-P energy: -7.332
tors. eta vs tors. theta energy: -6.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -100.051004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.051004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.051004 (E_RNA)
where:
Base-Base interactions energy: -39.659
where: short stacking energy: -38.277
Base-Backbone interact. energy: -0.014
local terms energy: -60.377505
where:
bonds (distance) C4'-P energy: -10.898
bonds (distance) P-C4' energy: -15.245
flat angles C4'-P-C4' energy: -15.706
flat angles P-C4'-P energy: -7.543
tors. eta vs tors. theta energy: -10.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -104.061376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.061376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.061376 (E_RNA)
where:
Base-Base interactions energy: -56.291
where: short stacking energy: -42.728
Base-Backbone interact. energy: -0.112
local terms energy: -47.658008
where:
bonds (distance) C4'-P energy: -12.148
bonds (distance) P-C4' energy: -12.817
flat angles C4'-P-C4' energy: -7.226
flat angles P-C4'-P energy: -8.530
tors. eta vs tors. theta energy: -6.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -99.816106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.816106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.816106 (E_RNA)
where:
Base-Base interactions energy: -42.138
where: short stacking energy: -42.138
Base-Backbone interact. energy: -0.068
local terms energy: -57.609731
where:
bonds (distance) C4'-P energy: -11.002
bonds (distance) P-C4' energy: -14.503
flat angles C4'-P-C4' energy: -12.203
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -9.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -87.847664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.847664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.847664 (E_RNA)
where:
Base-Base interactions energy: -38.441
where: short stacking energy: -37.888
Base-Backbone interact. energy: -0.356
local terms energy: -49.051085
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -9.987
flat angles P-C4'-P energy: -8.089
tors. eta vs tors. theta energy: -3.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -78.840830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.840830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.840830 (E_RNA)
where:
Base-Base interactions energy: -26.847
where: short stacking energy: -24.405
Base-Backbone interact. energy: -0.226
local terms energy: -51.767497
where:
bonds (distance) C4'-P energy: -14.756
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -11.528
flat angles P-C4'-P energy: -8.972
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: 1, replica: 8
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -173.922142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.922142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.922142 (E_RNA)
where:
Base-Base interactions energy: -102.493
where: short stacking energy: -56.184
Base-Backbone interact. energy: -0.126
local terms energy: -71.303634
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -16.514
flat angles P-C4'-P energy: -7.873
tors. eta vs tors. theta energy: -14.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -199.474365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.474365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.474365 (E_RNA)
where:
Base-Base interactions energy: -125.052
where: short stacking energy: -65.632
Base-Backbone interact. energy: -0.181
local terms energy: -74.241297
where:
bonds (distance) C4'-P energy: -14.872
bonds (distance) P-C4' energy: -12.926
flat angles C4'-P-C4' energy: -16.171
flat angles P-C4'-P energy: -12.138
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: 2
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -196.577063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.577063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.577063 (E_RNA)
where:
Base-Base interactions energy: -124.042
where: short stacking energy: -64.398
Base-Backbone interact. energy: -0.000
local terms energy: -72.534586
where:
bonds (distance) C4'-P energy: -10.289
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -11.413
tors. eta vs tors. theta energy: -21.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -142.786869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.786869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.786869 (E_RNA)
where:
Base-Base interactions energy: -80.143
where: short stacking energy: -45.865
Base-Backbone interact. energy: -0.267
local terms energy: -62.376592
where:
bonds (distance) C4'-P energy: -12.454
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -18.192
flat angles P-C4'-P energy: -8.548
tors. eta vs tors. theta energy: -9.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -161.715664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.715664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.715664 (E_RNA)
where:
Base-Base interactions energy: -94.677
where: short stacking energy: -55.371
Base-Backbone interact. energy: -0.001
local terms energy: -67.037819
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -11.796
flat angles P-C4'-P energy: -8.982
tors. eta vs tors. theta energy: -15.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -132.150168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.150168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.150168 (E_RNA)
where:
Base-Base interactions energy: -79.845
where: short stacking energy: -36.692
Base-Backbone interact. energy: -0.967
local terms energy: -51.338242
where:
bonds (distance) C4'-P energy: -10.670
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -14.136
flat angles P-C4'-P energy: -8.023
tors. eta vs tors. theta energy: -3.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -105.003140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.003140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.003140 (E_RNA)
where:
Base-Base interactions energy: -54.094
where: short stacking energy: -38.398
Base-Backbone interact. energy: -0.103
local terms energy: -50.806914
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -11.164
flat angles P-C4'-P energy: -4.962
tors. eta vs tors. theta energy: -5.518
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: 10
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -84.177492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.177492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.177492 (E_RNA)
where:
Base-Base interactions energy: -32.510
where: short stacking energy: -29.878
Base-Backbone interact. energy: 0.512
local terms energy: -52.178825
where:
bonds (distance) C4'-P energy: -10.762
bonds (distance) P-C4' energy: -12.963
flat angles C4'-P-C4' energy: -12.953
flat angles P-C4'-P energy: -11.088
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: 9, replica: 1
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -81.188811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.188811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.188811 (E_RNA)
where:
Base-Base interactions energy: -32.879
where: short stacking energy: -22.100
Base-Backbone interact. energy: -0.451
local terms energy: -47.858867
where:
bonds (distance) C4'-P energy: -6.828
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -10.246
flat angles P-C4'-P energy: -8.804
tors. eta vs tors. theta energy: -3.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -83.625294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.625294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.625294 (E_RNA)
where:
Base-Base interactions energy: -44.823
where: short stacking energy: -32.039
Base-Backbone interact. energy: -0.030
local terms energy: -38.772767
where:
bonds (distance) C4'-P energy: -9.618
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -7.257
flat angles P-C4'-P energy: -4.170
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: 5
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -210.917186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.917186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.917186 (E_RNA)
where:
Base-Base interactions energy: -132.825
where: short stacking energy: -64.624
Base-Backbone interact. energy: -0.185
local terms energy: -77.906498
where:
bonds (distance) C4'-P energy: -13.728
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -11.956
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: 2, replica: 8
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -167.975510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.975510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.975510 (E_RNA)
where:
Base-Base interactions energy: -100.076
where: short stacking energy: -56.505
Base-Backbone interact. energy: -0.095
local terms energy: -67.804466
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -17.949
flat angles C4'-P-C4' energy: -12.552
flat angles P-C4'-P energy: -8.643
tors. eta vs tors. theta energy: -14.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -198.173251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.173251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.173251 (E_RNA)
where:
Base-Base interactions energy: -129.677
where: short stacking energy: -54.027
Base-Backbone interact. energy: -0.008
local terms energy: -68.488375
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -14.846
flat angles P-C4'-P energy: -8.022
tors. eta vs tors. theta energy: -17.084
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: 130
Temperature: 1.050000
Total energy: -168.347301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.347301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.347301 (E_RNA)
where:
Base-Base interactions energy: -113.551
where: short stacking energy: -51.142
Base-Backbone interact. energy: -0.191
local terms energy: -54.605596
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -12.249
flat angles C4'-P-C4' energy: -14.346
flat angles P-C4'-P energy: -8.199
tors. eta vs tors. theta energy: -7.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -142.125414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.125414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.125414 (E_RNA)
where:
Base-Base interactions energy: -86.123
where: short stacking energy: -47.180
Base-Backbone interact. energy: 2.643
local terms energy: -58.645160
where:
bonds (distance) C4'-P energy: -12.156
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -13.288
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -4.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -133.716630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.716630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.716630 (E_RNA)
where:
Base-Base interactions energy: -78.233
where: short stacking energy: -42.363
Base-Backbone interact. energy: -0.076
local terms energy: -55.407709
where:
bonds (distance) C4'-P energy: -11.698
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -12.359
flat angles P-C4'-P energy: -9.036
tors. eta vs tors. theta energy: -8.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -95.124709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.124709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.124709 (E_RNA)
where:
Base-Base interactions energy: -48.384
where: short stacking energy: -23.141
Base-Backbone interact. energy: -0.197
local terms energy: -46.543262
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -10.076
flat angles P-C4'-P energy: -9.532
tors. eta vs tors. theta energy: -0.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -87.685385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.685385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.685385 (E_RNA)
where:
Base-Base interactions energy: -41.277
where: short stacking energy: -30.325
Base-Backbone interact. energy: 0.818
local terms energy: -47.226526
where:
bonds (distance) C4'-P energy: -10.112
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -16.747
flat angles P-C4'-P energy: -5.952
tors. eta vs tors. theta energy: -1.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -87.082002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.082002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.082002 (E_RNA)
where:
Base-Base interactions energy: -30.726
where: short stacking energy: -30.726
Base-Backbone interact. energy: 0.018
local terms energy: -56.373884
where:
bonds (distance) C4'-P energy: -12.331
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -10.557
flat angles P-C4'-P energy: -10.587
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: 10, replica: 1
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -98.106161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.106161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.106161 (E_RNA)
where:
Base-Base interactions energy: -59.749
where: short stacking energy: -37.852
Base-Backbone interact. energy: -0.543
local terms energy: -37.814225
where:
bonds (distance) C4'-P energy: -8.336
bonds (distance) P-C4' energy: -12.236
flat angles C4'-P-C4' energy: -10.508
flat angles P-C4'-P energy: -3.884
tors. eta vs tors. theta energy: -2.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -199.387957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.387957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.387957 (E_RNA)
where:
Base-Base interactions energy: -123.378
where: short stacking energy: -55.980
Base-Backbone interact. energy: -0.726
local terms energy: -75.284015
where:
bonds (distance) C4'-P energy: -16.836
bonds (distance) P-C4' energy: -15.567
flat angles C4'-P-C4' energy: -16.016
flat angles P-C4'-P energy: -11.742
tors. eta vs tors. theta energy: -15.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -199.910860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.910860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.910860 (E_RNA)
where:
Base-Base interactions energy: -135.134
where: short stacking energy: -57.455
Base-Backbone interact. energy: -0.096
local terms energy: -64.680927
where:
bonds (distance) C4'-P energy: -10.790
bonds (distance) P-C4' energy: -16.463
flat angles C4'-P-C4' energy: -12.825
flat angles P-C4'-P energy: -8.465
tors. eta vs tors. theta energy: -16.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -165.313185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.313185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.313185 (E_RNA)
where:
Base-Base interactions energy: -88.923
where: short stacking energy: -50.047
Base-Backbone interact. energy: -0.033
local terms energy: -76.357056
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -17.684
flat angles C4'-P-C4' energy: -14.389
flat angles P-C4'-P energy: -12.720
tors. eta vs tors. theta energy: -17.105
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: 7
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -182.271443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.271443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.271443 (E_RNA)
where:
Base-Base interactions energy: -109.875
where: short stacking energy: -66.021
Base-Backbone interact. energy: -0.026
local terms energy: -72.369756
where:
bonds (distance) C4'-P energy: -16.991
bonds (distance) P-C4' energy: -12.500
flat angles C4'-P-C4' energy: -14.984
flat angles P-C4'-P energy: -10.429
tors. eta vs tors. theta energy: -17.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -166.409312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.409312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.409312 (E_RNA)
where:
Base-Base interactions energy: -106.239
where: short stacking energy: -47.405
Base-Backbone interact. energy: -0.311
local terms energy: -59.859757
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -14.124
flat angles P-C4'-P energy: -6.905
tors. eta vs tors. theta energy: -11.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -105.272967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.272967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.272967 (E_RNA)
where:
Base-Base interactions energy: -47.877
where: short stacking energy: -43.248
Base-Backbone interact. energy: -0.023
local terms energy: -57.373401
where:
bonds (distance) C4'-P energy: -12.981
bonds (distance) P-C4' energy: -12.792
flat angles C4'-P-C4' energy: -13.796
flat angles P-C4'-P energy: -9.876
tors. eta vs tors. theta energy: -7.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -124.582299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.582299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.582299 (E_RNA)
where:
Base-Base interactions energy: -65.046
where: short stacking energy: -44.730
Base-Backbone interact. energy: -0.170
local terms energy: -59.366322
where:
bonds (distance) C4'-P energy: -16.759
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -13.744
flat angles P-C4'-P energy: -5.610
tors. eta vs tors. theta energy: -6.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -90.294048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.294048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.294048 (E_RNA)
where:
Base-Base interactions energy: -36.065
where: short stacking energy: -32.120
Base-Backbone interact. energy: -0.646
local terms energy: -53.583079
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -9.340
flat angles C4'-P-C4' energy: -18.246
flat angles P-C4'-P energy: -7.451
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: 9, replica: 9
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -96.915030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.915030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.915030 (E_RNA)
where:
Base-Base interactions energy: -43.196
where: short stacking energy: -28.829
Base-Backbone interact. energy: -0.687
local terms energy: -53.031818
where:
bonds (distance) C4'-P energy: -10.154
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -12.736
flat angles P-C4'-P energy: -11.924
tors. eta vs tors. theta energy: -3.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -76.795871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.795871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.795871 (E_RNA)
where:
Base-Base interactions energy: -34.415
where: short stacking energy: -22.359
Base-Backbone interact. energy: -0.149
local terms energy: -42.232643
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -13.039
flat angles P-C4'-P energy: -5.185
tors. eta vs tors. theta energy: 1.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -206.620449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.620449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.620449 (E_RNA)
where:
Base-Base interactions energy: -132.736
where: short stacking energy: -54.793
Base-Backbone interact. energy: 0.100
local terms energy: -73.984247
where:
bonds (distance) C4'-P energy: -18.342
bonds (distance) P-C4' energy: -16.065
flat angles C4'-P-C4' energy: -14.957
flat angles P-C4'-P energy: -13.116
tors. eta vs tors. theta energy: -11.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -202.271975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.271975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.271975 (E_RNA)
where:
Base-Base interactions energy: -129.626
where: short stacking energy: -61.771
Base-Backbone interact. energy: -0.034
local terms energy: -72.611951
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -17.030
flat angles P-C4'-P energy: -12.484
tors. eta vs tors. theta energy: -14.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -184.893270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.893270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.893270 (E_RNA)
where:
Base-Base interactions energy: -107.146
where: short stacking energy: -54.940
Base-Backbone interact. energy: -0.385
local terms energy: -77.363002
where:
bonds (distance) C4'-P energy: -13.596
bonds (distance) P-C4' energy: -18.687
flat angles C4'-P-C4' energy: -18.407
flat angles P-C4'-P energy: -10.994
tors. eta vs tors. theta energy: -15.679
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: 4, replica: 8
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -161.617292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.617292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.617292 (E_RNA)
where:
Base-Base interactions energy: -96.056
where: short stacking energy: -53.479
Base-Backbone interact. energy: 0.174
local terms energy: -65.734753
where:
bonds (distance) C4'-P energy: -10.961
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -15.079
flat angles P-C4'-P energy: -12.477
tors. eta vs tors. theta energy: -14.762
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: 10
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -100.014407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.014407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.014407 (E_RNA)
where:
Base-Base interactions energy: -46.572
where: short stacking energy: -41.677
Base-Backbone interact. energy: -0.310
local terms energy: -53.132751
where:
bonds (distance) C4'-P energy: -12.302
bonds (distance) P-C4' energy: -15.862
flat angles C4'-P-C4' energy: -11.534
flat angles P-C4'-P energy: -5.545
tors. eta vs tors. theta energy: -7.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -141.237193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.237193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.237193 (E_RNA)
where:
Base-Base interactions energy: -95.342
where: short stacking energy: -33.521
Base-Backbone interact. energy: 0.165
local terms energy: -46.059947
where:
bonds (distance) C4'-P energy: -11.088
bonds (distance) P-C4' energy: -14.228
flat angles C4'-P-C4' energy: -11.649
flat angles P-C4'-P energy: -5.701
tors. eta vs tors. theta energy: -3.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -91.422832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.422832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.422832 (E_RNA)
where:
Base-Base interactions energy: -32.720
where: short stacking energy: -31.627
Base-Backbone interact. energy: -0.441
local terms energy: -58.261958
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -12.661
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: -3.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -88.960823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.960823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.960823 (E_RNA)
where:
Base-Base interactions energy: -44.179
where: short stacking energy: -26.629
Base-Backbone interact. energy: 1.774
local terms energy: -46.556429
where:
bonds (distance) C4'-P energy: -13.079
bonds (distance) P-C4' energy: -12.183
flat angles C4'-P-C4' energy: -14.348
flat angles P-C4'-P energy: -5.243
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: 9, replica: 9
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -93.620259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.620259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.620259 (E_RNA)
where:
Base-Base interactions energy: -49.069
where: short stacking energy: -29.358
Base-Backbone interact. energy: 0.485
local terms energy: -45.036175
where:
bonds (distance) C4'-P energy: -7.227
bonds (distance) P-C4' energy: -15.801
flat angles C4'-P-C4' energy: -11.592
flat angles P-C4'-P energy: -8.238
tors. eta vs tors. theta energy: -2.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -77.625572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.625572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.625572 (E_RNA)
where:
Base-Base interactions energy: -32.902
where: short stacking energy: -23.165
Base-Backbone interact. energy: -0.478
local terms energy: -44.245421
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -17.166
flat angles C4'-P-C4' energy: -10.739
flat angles P-C4'-P energy: -5.798
tors. eta vs tors. theta energy: 4.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -207.855773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.855773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.855773 (E_RNA)
where:
Base-Base interactions energy: -141.336
where: short stacking energy: -60.585
Base-Backbone interact. energy: -0.280
local terms energy: -66.240082
where:
bonds (distance) C4'-P energy: -10.936
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -13.728
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: -13.304
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: 7
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -183.305647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.305647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.305647 (E_RNA)
where:
Base-Base interactions energy: -111.851
where: short stacking energy: -57.959
Base-Backbone interact. energy: -0.125
local terms energy: -71.329557
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -11.745
flat angles P-C4'-P energy: -11.408
tors. eta vs tors. theta energy: -17.271
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: 2
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -201.905853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.905853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.905853 (E_RNA)
where:
Base-Base interactions energy: -127.039
where: short stacking energy: -52.725
Base-Backbone interact. energy: -0.138
local terms energy: -74.728860
where:
bonds (distance) C4'-P energy: -16.508
bonds (distance) P-C4' energy: -11.918
flat angles C4'-P-C4' energy: -16.758
flat angles P-C4'-P energy: -11.908
tors. eta vs tors. theta energy: -17.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -164.784435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.784435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.784435 (E_RNA)
where:
Base-Base interactions energy: -97.851
where: short stacking energy: -55.363
Base-Backbone interact. energy: -0.081
local terms energy: -66.851820
where:
bonds (distance) C4'-P energy: -8.360
bonds (distance) P-C4' energy: -15.437
flat angles C4'-P-C4' energy: -14.024
flat angles P-C4'-P energy: -12.872
tors. eta vs tors. theta energy: -16.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -105.846411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.846411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.846411 (E_RNA)
where:
Base-Base interactions energy: -41.349
where: short stacking energy: -41.349
Base-Backbone interact. energy: -0.124
local terms energy: -64.373370
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -13.483
flat angles C4'-P-C4' energy: -8.438
flat angles P-C4'-P energy: -12.832
tors. eta vs tors. theta energy: -13.280
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: 4
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -156.702085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.702085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.702085 (E_RNA)
where:
Base-Base interactions energy: -97.169
where: short stacking energy: -46.038
Base-Backbone interact. energy: -0.001
local terms energy: -59.532377
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -13.979
flat angles P-C4'-P energy: -10.555
tors. eta vs tors. theta energy: -6.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -82.933403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.933403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.933403 (E_RNA)
where:
Base-Base interactions energy: -36.158
where: short stacking energy: -9.377
Base-Backbone interact. energy: 2.121
local terms energy: -48.896312
where:
bonds (distance) C4'-P energy: -15.666
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -12.471
flat angles P-C4'-P energy: -7.562
tors. eta vs tors. theta energy: 2.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -90.025410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.025410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.025410 (E_RNA)
where:
Base-Base interactions energy: -33.556
where: short stacking energy: -33.232
Base-Backbone interact. energy: -0.221
local terms energy: -56.247973
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -12.515
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: -3.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -97.639557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.639557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.639557 (E_RNA)
where:
Base-Base interactions energy: -45.643
where: short stacking energy: -40.166
Base-Backbone interact. energy: -0.068
local terms energy: -51.928379
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -13.913
flat angles P-C4'-P energy: -6.895
tors. eta vs tors. theta energy: -3.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -114.496052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.496052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.496052 (E_RNA)
where:
Base-Base interactions energy: -66.795
where: short stacking energy: -37.621
Base-Backbone interact. energy: -0.341
local terms energy: -47.359972
where:
bonds (distance) C4'-P energy: -7.997
bonds (distance) P-C4' energy: -15.274
flat angles C4'-P-C4' energy: -11.854
flat angles P-C4'-P energy: -11.068
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: 5
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -196.025287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.025287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.025287 (E_RNA)
where:
Base-Base interactions energy: -131.897
where: short stacking energy: -61.710
Base-Backbone interact. energy: -0.136
local terms energy: -63.992438
where:
bonds (distance) C4'-P energy: -17.779
bonds (distance) P-C4' energy: -12.823
flat angles C4'-P-C4' energy: -14.510
flat angles P-C4'-P energy: -7.770
tors. eta vs tors. theta energy: -11.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -211.096941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.096941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.096941 (E_RNA)
where:
Base-Base interactions energy: -137.027
where: short stacking energy: -72.710
Base-Backbone interact. energy: -0.309
local terms energy: -73.760474
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -10.718
flat angles C4'-P-C4' energy: -17.824
flat angles P-C4'-P energy: -7.925
tors. eta vs tors. theta energy: -21.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -193.552952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.552952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.552952 (E_RNA)
where:
Base-Base interactions energy: -122.948
where: short stacking energy: -63.435
Base-Backbone interact. energy: -0.156
local terms energy: -70.449224
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -12.988
flat angles P-C4'-P energy: -8.757
tors. eta vs tors. theta energy: -18.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -168.914860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.914860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.914860 (E_RNA)
where:
Base-Base interactions energy: -100.464
where: short stacking energy: -55.839
Base-Backbone interact. energy: -0.279
local terms energy: -68.171941
where:
bonds (distance) C4'-P energy: -18.064
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -14.470
flat angles P-C4'-P energy: -6.656
tors. eta vs tors. theta energy: -13.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -173.513295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.513295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.513295 (E_RNA)
where:
Base-Base interactions energy: -105.867
where: short stacking energy: -53.752
Base-Backbone interact. energy: 1.064
local terms energy: -68.710169
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -15.880
flat angles P-C4'-P energy: -12.344
tors. eta vs tors. theta energy: -13.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -123.800104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.800104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.800104 (E_RNA)
where:
Base-Base interactions energy: -65.432
where: short stacking energy: -46.957
Base-Backbone interact. energy: -0.318
local terms energy: -58.050195
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -11.794
flat angles C4'-P-C4' energy: -10.739
flat angles P-C4'-P energy: -13.214
tors. eta vs tors. theta energy: -8.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -135.354723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.354723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.354723 (E_RNA)
where:
Base-Base interactions energy: -81.323
where: short stacking energy: -42.542
Base-Backbone interact. energy: 1.659
local terms energy: -55.690918
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -8.217
flat angles P-C4'-P energy: -11.994
tors. eta vs tors. theta energy: -6.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -84.924743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.924743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.924743 (E_RNA)
where:
Base-Base interactions energy: -32.009
where: short stacking energy: -28.680
Base-Backbone interact. energy: 0.126
local terms energy: -53.041818
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -12.746
flat angles C4'-P-C4' energy: -12.765
flat angles P-C4'-P energy: -8.258
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: 1
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -98.629646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.629646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.629646 (E_RNA)
where:
Base-Base interactions energy: -35.980
where: short stacking energy: -32.517
Base-Backbone interact. energy: -0.630
local terms energy: -62.019316
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -14.224
flat angles P-C4'-P energy: -9.763
tors. eta vs tors. theta energy: -5.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -81.903128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.903128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.903128 (E_RNA)
where:
Base-Base interactions energy: -37.117
where: short stacking energy: -31.515
Base-Backbone interact. energy: -0.448
local terms energy: -44.338909
where:
bonds (distance) C4'-P energy: -10.650
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -7.472
flat angles P-C4'-P energy: -6.656
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: 1, replica: 5
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -204.951158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.951158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.951158 (E_RNA)
where:
Base-Base interactions energy: -140.720
where: short stacking energy: -57.223
Base-Backbone interact. energy: -0.097
local terms energy: -64.133952
where:
bonds (distance) C4'-P energy: -12.855
bonds (distance) P-C4' energy: -15.713
flat angles C4'-P-C4' energy: -13.800
flat angles P-C4'-P energy: -7.352
tors. eta vs tors. theta energy: -14.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -209.046629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.046629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.046629 (E_RNA)
where:
Base-Base interactions energy: -134.074
where: short stacking energy: -65.755
Base-Backbone interact. energy: -0.048
local terms energy: -74.924913
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -14.400
flat angles C4'-P-C4' energy: -16.615
flat angles P-C4'-P energy: -8.049
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: 2
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -203.898053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.898053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.898053 (E_RNA)
where:
Base-Base interactions energy: -124.118
where: short stacking energy: -61.294
Base-Backbone interact. energy: -0.661
local terms energy: -79.119532
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -15.873
flat angles P-C4'-P energy: -12.154
tors. eta vs tors. theta energy: -20.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -181.786147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.786147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.786147 (E_RNA)
where:
Base-Base interactions energy: -116.578
where: short stacking energy: -60.510
Base-Backbone interact. energy: -0.085
local terms energy: -65.123842
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -15.803
flat angles C4'-P-C4' energy: -14.366
flat angles P-C4'-P energy: -6.877
tors. eta vs tors. theta energy: -12.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -151.422090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.422090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.422090 (E_RNA)
where:
Base-Base interactions energy: -81.093
where: short stacking energy: -47.992
Base-Backbone interact. energy: -0.640
local terms energy: -69.689549
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -15.131
flat angles C4'-P-C4' energy: -14.197
flat angles P-C4'-P energy: -11.937
tors. eta vs tors. theta energy: -14.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -140.342318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.342318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.342318 (E_RNA)
where:
Base-Base interactions energy: -72.614
where: short stacking energy: -35.888
Base-Backbone interact. energy: -0.360
local terms energy: -67.368629
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -12.793
flat angles P-C4'-P energy: -10.989
tors. eta vs tors. theta energy: -9.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -97.958183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.958183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.958183 (E_RNA)
where:
Base-Base interactions energy: -39.494
where: short stacking energy: -29.116
Base-Backbone interact. energy: -0.780
local terms energy: -57.684326
where:
bonds (distance) C4'-P energy: -11.184
bonds (distance) P-C4' energy: -15.889
flat angles C4'-P-C4' energy: -15.828
flat angles P-C4'-P energy: -10.059
tors. eta vs tors. theta energy: -4.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -88.094213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.094213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.094213 (E_RNA)
where:
Base-Base interactions energy: -43.924
where: short stacking energy: -29.373
Base-Backbone interact. energy: -0.293
local terms energy: -43.876689
where:
bonds (distance) C4'-P energy: -8.252
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -10.470
flat angles P-C4'-P energy: -5.932
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: 3
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -81.080806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.080806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.080806 (E_RNA)
where:
Base-Base interactions energy: -31.574
where: short stacking energy: -31.574
Base-Backbone interact. energy: -0.073
local terms energy: -49.433553
where:
bonds (distance) C4'-P energy: -9.691
bonds (distance) P-C4' energy: -14.126
flat angles C4'-P-C4' energy: -12.714
flat angles P-C4'-P energy: -7.399
tors. eta vs tors. theta energy: -5.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -88.121397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.121397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.121397 (E_RNA)
where:
Base-Base interactions energy: -35.329
where: short stacking energy: -34.326
Base-Backbone interact. energy: -0.036
local terms energy: -52.756518
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -15.345
flat angles C4'-P-C4' energy: -9.786
flat angles P-C4'-P energy: -7.777
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: 1, replica: 5
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -207.912791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.912791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.912791 (E_RNA)
where:
Base-Base interactions energy: -136.254
where: short stacking energy: -54.449
Base-Backbone interact. energy: -0.048
local terms energy: -71.611347
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -16.434
flat angles C4'-P-C4' energy: -15.385
flat angles P-C4'-P energy: -13.975
tors. eta vs tors. theta energy: -12.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -189.151374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.151374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.151374 (E_RNA)
where:
Base-Base interactions energy: -120.603
where: short stacking energy: -59.394
Base-Backbone interact. energy: 1.403
local terms energy: -69.951913
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -16.509
flat angles C4'-P-C4' energy: -15.056
flat angles P-C4'-P energy: -7.660
tors. eta vs tors. theta energy: -14.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -209.043394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.043394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.043394 (E_RNA)
where:
Base-Base interactions energy: -143.900
where: short stacking energy: -65.671
Base-Backbone interact. energy: 0.485
local terms energy: -65.628875
where:
bonds (distance) C4'-P energy: -11.685
bonds (distance) P-C4' energy: -14.241
flat angles C4'-P-C4' energy: -13.022
flat angles P-C4'-P energy: -8.879
tors. eta vs tors. theta energy: -17.801
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: 4
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -164.407684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.407684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.407684 (E_RNA)
where:
Base-Base interactions energy: -98.131
where: short stacking energy: -46.698
Base-Backbone interact. energy: -0.161
local terms energy: -66.115909
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -13.711
flat angles P-C4'-P energy: -11.771
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: 5, replica: 8
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -151.401365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.401365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.401365 (E_RNA)
where:
Base-Base interactions energy: -90.764
where: short stacking energy: -46.399
Base-Backbone interact. energy: -0.032
local terms energy: -60.605438
where:
bonds (distance) C4'-P energy: -10.179
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -13.576
flat angles P-C4'-P energy: -10.726
tors. eta vs tors. theta energy: -10.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -138.809522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.809522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.809522 (E_RNA)
where:
Base-Base interactions energy: -80.959
where: short stacking energy: -46.699
Base-Backbone interact. energy: -0.183
local terms energy: -57.666840
where:
bonds (distance) C4'-P energy: -7.710
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -16.362
flat angles P-C4'-P energy: -10.184
tors. eta vs tors. theta energy: -8.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -91.301197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.301197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.301197 (E_RNA)
where:
Base-Base interactions energy: -45.482
where: short stacking energy: -33.944
Base-Backbone interact. energy: -0.287
local terms energy: -45.533060
where:
bonds (distance) C4'-P energy: -9.363
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -7.766
flat angles P-C4'-P energy: -10.651
tors. eta vs tors. theta energy: -1.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -82.032292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.032292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.032292 (E_RNA)
where:
Base-Base interactions energy: -29.700
where: short stacking energy: -28.139
Base-Backbone interact. energy: -0.165
local terms energy: -52.166916
where:
bonds (distance) C4'-P energy: -12.276
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -14.712
flat angles P-C4'-P energy: -9.226
tors. eta vs tors. theta energy: -2.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -82.719525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.719525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.719525 (E_RNA)
where:
Base-Base interactions energy: -28.570
where: short stacking energy: -24.154
Base-Backbone interact. energy: -1.404
local terms energy: -52.745177
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -10.852
flat angles C4'-P-C4' energy: -15.911
flat angles P-C4'-P energy: -11.827
tors. eta vs tors. theta energy: 1.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -74.657044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.657044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.657044 (E_RNA)
where:
Base-Base interactions energy: -26.898
where: short stacking energy: -26.898
Base-Backbone interact. energy: 1.117
local terms energy: -48.875773
where:
bonds (distance) C4'-P energy: -14.319
bonds (distance) P-C4' energy: -14.552
flat angles C4'-P-C4' energy: -11.253
flat angles P-C4'-P energy: -6.132
tors. eta vs tors. theta energy: -2.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -191.735626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.735626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.735626 (E_RNA)
where:
Base-Base interactions energy: -119.788
where: short stacking energy: -54.551
Base-Backbone interact. energy: -0.514
local terms energy: -71.433648
where:
bonds (distance) C4'-P energy: -13.247
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -16.607
flat angles P-C4'-P energy: -13.614
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: 2, replica: 2
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -206.062902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.062902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.062902 (E_RNA)
where:
Base-Base interactions energy: -135.217
where: short stacking energy: -53.955
Base-Backbone interact. energy: -0.008
local terms energy: -70.837320
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -8.181
tors. eta vs tors. theta energy: -14.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -184.387356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.387356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.387356 (E_RNA)
where:
Base-Base interactions energy: -122.221
where: short stacking energy: -60.930
Base-Backbone interact. energy: -0.036
local terms energy: -62.130789
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -11.488
flat angles C4'-P-C4' energy: -14.045
flat angles P-C4'-P energy: -13.673
tors. eta vs tors. theta energy: -10.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -172.699156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.699156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.699156 (E_RNA)
where:
Base-Base interactions energy: -107.047
where: short stacking energy: -55.585
Base-Backbone interact. energy: -0.021
local terms energy: -65.631948
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -13.073
flat angles C4'-P-C4' energy: -14.281
flat angles P-C4'-P energy: -8.488
tors. eta vs tors. theta energy: -14.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -176.808883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.808883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.808883 (E_RNA)
where:
Base-Base interactions energy: -119.098
where: short stacking energy: -54.440
Base-Backbone interact. energy: -0.026
local terms energy: -57.685141
where:
bonds (distance) C4'-P energy: -8.584
bonds (distance) P-C4' energy: -11.903
flat angles C4'-P-C4' energy: -13.966
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -13.730
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: 6, replica: 6
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -139.841013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.841013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.841013 (E_RNA)
where:
Base-Base interactions energy: -77.272
where: short stacking energy: -43.960
Base-Backbone interact. energy: -0.344
local terms energy: -62.225030
where:
bonds (distance) C4'-P energy: -10.666
bonds (distance) P-C4' energy: -14.497
flat angles C4'-P-C4' energy: -15.282
flat angles P-C4'-P energy: -8.003
tors. eta vs tors. theta energy: -13.776
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: 7, replica: 1
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -96.602194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.602194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.602194 (E_RNA)
where:
Base-Base interactions energy: -39.410
where: short stacking energy: -39.410
Base-Backbone interact. energy: -0.794
local terms energy: -56.398481
where:
bonds (distance) C4'-P energy: -13.622
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: -5.328
tors. eta vs tors. theta energy: -8.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -89.032484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.032484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.032484 (E_RNA)
where:
Base-Base interactions energy: -40.369
where: short stacking energy: -38.312
Base-Backbone interact. energy: -0.060
local terms energy: -48.604108
where:
bonds (distance) C4'-P energy: -13.555
bonds (distance) P-C4' energy: -11.798
flat angles C4'-P-C4' energy: -8.247
flat angles P-C4'-P energy: -8.094
tors. eta vs tors. theta energy: -6.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -91.243361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.243361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.243361 (E_RNA)
where:
Base-Base interactions energy: -47.573
where: short stacking energy: -36.853
Base-Backbone interact. energy: -0.018
local terms energy: -43.652356
where:
bonds (distance) C4'-P energy: -9.773
bonds (distance) P-C4' energy: -7.912
flat angles C4'-P-C4' energy: -12.597
flat angles P-C4'-P energy: -7.592
tors. eta vs tors. theta energy: -5.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -80.783010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.783010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.783010 (E_RNA)
where:
Base-Base interactions energy: -27.554
where: short stacking energy: -27.554
Base-Backbone interact. energy: 0.110
local terms energy: -53.338627
where:
bonds (distance) C4'-P energy: -11.269
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -13.928
flat angles P-C4'-P energy: -9.972
tors. eta vs tors. theta energy: -4.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -200.049717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.049717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.049717 (E_RNA)
where:
Base-Base interactions energy: -129.698
where: short stacking energy: -62.505
Base-Backbone interact. energy: -0.182
local terms energy: -70.169652
where:
bonds (distance) C4'-P energy: -10.781
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -14.513
flat angles P-C4'-P energy: -12.926
tors. eta vs tors. theta energy: -17.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -197.112749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.112749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.112749 (E_RNA)
where:
Base-Base interactions energy: -124.475
where: short stacking energy: -58.069
Base-Backbone interact. energy: -0.451
local terms energy: -72.185949
where:
bonds (distance) C4'-P energy: -12.574
bonds (distance) P-C4' energy: -15.203
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -12.179
tors. eta vs tors. theta energy: -16.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -187.138884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.138884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.138884 (E_RNA)
where:
Base-Base interactions energy: -116.070
where: short stacking energy: -61.252
Base-Backbone interact. energy: -0.067
local terms energy: -71.002203
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -15.416
flat angles P-C4'-P energy: -11.575
tors. eta vs tors. theta energy: -13.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -160.047956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.047956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.047956 (E_RNA)
where:
Base-Base interactions energy: -97.593
where: short stacking energy: -60.171
Base-Backbone interact. energy: -0.098
local terms energy: -62.357692
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -12.985
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -11.908
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: 138
Temperature: 1.100000
Total energy: -193.816401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.816401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.816401 (E_RNA)
where:
Base-Base interactions energy: -130.801
where: short stacking energy: -55.329
Base-Backbone interact. energy: -0.290
local terms energy: -62.725754
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -14.210
flat angles P-C4'-P energy: -10.279
tors. eta vs tors. theta energy: -12.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -128.218407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.218407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.218407 (E_RNA)
where:
Base-Base interactions energy: -77.531
where: short stacking energy: -43.506
Base-Backbone interact. energy: -0.081
local terms energy: -50.606841
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -15.618
flat angles C4'-P-C4' energy: -8.703
flat angles P-C4'-P energy: -8.568
tors. eta vs tors. theta energy: -2.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -88.469277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.469277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.469277 (E_RNA)
where:
Base-Base interactions energy: -39.677
where: short stacking energy: -21.184
Base-Backbone interact. energy: -0.434
local terms energy: -48.358371
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -13.146
flat angles P-C4'-P energy: -8.150
tors. eta vs tors. theta energy: 2.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -85.460839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.460839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.460839 (E_RNA)
where:
Base-Base interactions energy: -29.638
where: short stacking energy: -28.705
Base-Backbone interact. energy: -0.096
local terms energy: -55.726570
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -11.982
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: -3.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -93.058110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.058110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.058110 (E_RNA)
where:
Base-Base interactions energy: -38.671
where: short stacking energy: -34.344
Base-Backbone interact. energy: -0.599
local terms energy: -53.787893
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -9.219
flat angles P-C4'-P energy: -13.310
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: 138
Temperature: 1.350000
Total energy: -92.044580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.044580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.044580 (E_RNA)
where:
Base-Base interactions energy: -41.439
where: short stacking energy: -24.615
Base-Backbone interact. energy: -0.867
local terms energy: -49.737914
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -10.946
flat angles C4'-P-C4' energy: -11.834
flat angles P-C4'-P energy: -10.503
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: 1, replica: 2
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -199.478435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.478435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.478435 (E_RNA)
where:
Base-Base interactions energy: -131.584
where: short stacking energy: -61.173
Base-Backbone interact. energy: -0.094
local terms energy: -67.800352
where:
bonds (distance) C4'-P energy: -16.449
bonds (distance) P-C4' energy: -14.151
flat angles C4'-P-C4' energy: -13.881
flat angles P-C4'-P energy: -9.237
tors. eta vs tors. theta energy: -14.082
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: 7
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -184.037450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.037450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.037450 (E_RNA)
where:
Base-Base interactions energy: -120.392
where: short stacking energy: -51.440
Base-Backbone interact. energy: -0.104
local terms energy: -63.541775
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -14.744
flat angles P-C4'-P energy: -7.737
tors. eta vs tors. theta energy: -9.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -173.199198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.199198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.199198 (E_RNA)
where:
Base-Base interactions energy: -109.532
where: short stacking energy: -62.413
Base-Backbone interact. energy: 1.355
local terms energy: -65.022399
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -12.495
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -10.810
tors. eta vs tors. theta energy: -13.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -181.582447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.582447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.582447 (E_RNA)
where:
Base-Base interactions energy: -110.140
where: short stacking energy: -57.147
Base-Backbone interact. energy: 0.152
local terms energy: -71.594091
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -15.746
flat angles C4'-P-C4' energy: -16.805
flat angles P-C4'-P energy: -10.555
tors. eta vs tors. theta energy: -14.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -159.024939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.024939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.024939 (E_RNA)
where:
Base-Base interactions energy: -92.729
where: short stacking energy: -51.315
Base-Backbone interact. energy: -1.368
local terms energy: -64.927869
where:
bonds (distance) C4'-P energy: -12.724
bonds (distance) P-C4' energy: -15.634
flat angles C4'-P-C4' energy: -15.689
flat angles P-C4'-P energy: -7.248
tors. eta vs tors. theta energy: -13.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -87.331114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.331114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.331114 (E_RNA)
where:
Base-Base interactions energy: -36.836
where: short stacking energy: -34.264
Base-Backbone interact. energy: -0.136
local terms energy: -50.359298
where:
bonds (distance) C4'-P energy: -10.932
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -17.655
flat angles P-C4'-P energy: -4.035
tors. eta vs tors. theta energy: -2.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -89.201522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.201522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.201522 (E_RNA)
where:
Base-Base interactions energy: -38.669
where: short stacking energy: -33.839
Base-Backbone interact. energy: -0.266
local terms energy: -50.267314
where:
bonds (distance) C4'-P energy: -12.389
bonds (distance) P-C4' energy: -12.154
flat angles C4'-P-C4' energy: -14.186
flat angles P-C4'-P energy: -9.438
tors. eta vs tors. theta energy: -2.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -97.089162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.089162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.089162 (E_RNA)
where:
Base-Base interactions energy: -46.920
where: short stacking energy: -39.076
Base-Backbone interact. energy: -0.122
local terms energy: -50.047113
where:
bonds (distance) C4'-P energy: -11.297
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -10.916
flat angles P-C4'-P energy: -8.775
tors. eta vs tors. theta energy: -5.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -81.611609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.611609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.611609 (E_RNA)
where:
Base-Base interactions energy: -32.007
where: short stacking energy: -32.007
Base-Backbone interact. energy: -0.153
local terms energy: -49.451360
where:
bonds (distance) C4'-P energy: -10.720
bonds (distance) P-C4' energy: -10.771
flat angles C4'-P-C4' energy: -12.691
flat angles P-C4'-P energy: -10.838
tors. eta vs tors. theta energy: -4.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -73.058216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.058216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.058216 (E_RNA)
where:
Base-Base interactions energy: -30.311
where: short stacking energy: -20.020
Base-Backbone interact. energy: -1.774
local terms energy: -40.973425
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -3.615
flat angles P-C4'-P energy: -7.696
tors. eta vs tors. theta energy: 0.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -198.736286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.736286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.736286 (E_RNA)
where:
Base-Base interactions energy: -133.918
where: short stacking energy: -57.975
Base-Backbone interact. energy: 0.047
local terms energy: -64.865775
where:
bonds (distance) C4'-P energy: -12.687
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -12.323
flat angles P-C4'-P energy: -9.673
tors. eta vs tors. theta energy: -13.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -189.951404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.951404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.951404 (E_RNA)
where:
Base-Base interactions energy: -126.965
where: short stacking energy: -48.783
Base-Backbone interact. energy: -1.546
local terms energy: -61.440310
where:
bonds (distance) C4'-P energy: -14.060
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -8.635
flat angles P-C4'-P energy: -12.054
tors. eta vs tors. theta energy: -9.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -198.236741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.236741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.236741 (E_RNA)
where:
Base-Base interactions energy: -122.749
where: short stacking energy: -77.805
Base-Backbone interact. energy: 0.181
local terms energy: -75.667969
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -14.743
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: -20.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -172.906664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.906664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.906664 (E_RNA)
where:
Base-Base interactions energy: -102.260
where: short stacking energy: -59.970
Base-Backbone interact. energy: -0.604
local terms energy: -70.042441
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -11.195
flat angles C4'-P-C4' energy: -19.842
flat angles P-C4'-P energy: -10.703
tors. eta vs tors. theta energy: -13.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -151.786417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.786417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.786417 (E_RNA)
where:
Base-Base interactions energy: -84.811
where: short stacking energy: -52.155
Base-Backbone interact. energy: -0.041
local terms energy: -66.934873
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -15.846
flat angles C4'-P-C4' energy: -15.055
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -13.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -94.551354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.551354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.551354 (E_RNA)
where:
Base-Base interactions energy: -44.329
where: short stacking energy: -42.374
Base-Backbone interact. energy: -0.198
local terms energy: -50.024671
where:
bonds (distance) C4'-P energy: -8.733
bonds (distance) P-C4' energy: -13.203
flat angles C4'-P-C4' energy: -14.672
flat angles P-C4'-P energy: -9.028
tors. eta vs tors. theta energy: -4.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -103.306538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.306538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.306538 (E_RNA)
where:
Base-Base interactions energy: -58.522
where: short stacking energy: -35.347
Base-Backbone interact. energy: -0.105
local terms energy: -44.679125
where:
bonds (distance) C4'-P energy: -7.188
bonds (distance) P-C4' energy: -11.372
flat angles C4'-P-C4' energy: -12.431
flat angles P-C4'-P energy: -6.005
tors. eta vs tors. theta energy: -7.683
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: 140
Temperature: 1.250000
Total energy: -78.868059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.868059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.868059 (E_RNA)
where:
Base-Base interactions energy: -27.902
where: short stacking energy: -25.700
Base-Backbone interact. energy: -2.120
local terms energy: -48.846897
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -13.142
flat angles P-C4'-P energy: -6.977
tors. eta vs tors. theta energy: -1.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -85.999915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.999915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.999915 (E_RNA)
where:
Base-Base interactions energy: -44.175
where: short stacking energy: -32.197
Base-Backbone interact. energy: -0.137
local terms energy: -41.688674
where:
bonds (distance) C4'-P energy: -10.021
bonds (distance) P-C4' energy: -12.579
flat angles C4'-P-C4' energy: -9.843
flat angles P-C4'-P energy: -9.648
tors. eta vs tors. theta energy: 0.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -77.648440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.648440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.648440 (E_RNA)
where:
Base-Base interactions energy: -31.784
where: short stacking energy: -22.346
Base-Backbone interact. energy: -0.817
local terms energy: -45.047218
where:
bonds (distance) C4'-P energy: -9.118
bonds (distance) P-C4' energy: -13.292
flat angles C4'-P-C4' energy: -9.500
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: -5.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -211.078187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.078187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.078187 (E_RNA)
where:
Base-Base interactions energy: -133.939
where: short stacking energy: -65.554
Base-Backbone interact. energy: -0.063
local terms energy: -77.076404
where:
bonds (distance) C4'-P energy: -15.254
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -13.811
flat angles P-C4'-P energy: -11.756
tors. eta vs tors. theta energy: -19.183
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: 7
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -198.942697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.942697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.942697 (E_RNA)
where:
Base-Base interactions energy: -141.256
where: short stacking energy: -61.149
Base-Backbone interact. energy: 2.464
local terms energy: -60.150138
where:
bonds (distance) C4'-P energy: -9.867
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -15.467
flat angles P-C4'-P energy: -11.574
tors. eta vs tors. theta energy: -10.640
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: 4
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -200.390345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.390345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.390345 (E_RNA)
where:
Base-Base interactions energy: -127.604
where: short stacking energy: -70.793
Base-Backbone interact. energy: -0.014
local terms energy: -72.772526
where:
bonds (distance) C4'-P energy: -14.788
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -14.479
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: -19.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -171.313623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.313623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.313623 (E_RNA)
where:
Base-Base interactions energy: -104.086
where: short stacking energy: -43.164
Base-Backbone interact. energy: -0.884
local terms energy: -66.343431
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -17.064
flat angles P-C4'-P energy: -10.454
tors. eta vs tors. theta energy: -10.559
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: 8
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -149.706917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.706917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.706917 (E_RNA)
where:
Base-Base interactions energy: -91.614
where: short stacking energy: -43.215
Base-Backbone interact. energy: -0.278
local terms energy: -57.814580
where:
bonds (distance) C4'-P energy: -10.405
bonds (distance) P-C4' energy: -16.301
flat angles C4'-P-C4' energy: -11.555
flat angles P-C4'-P energy: -11.611
tors. eta vs tors. theta energy: -7.943
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: 141
Temperature: 1.150000
Total energy: -105.086678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.086678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.086678 (E_RNA)
where:
Base-Base interactions energy: -47.683
where: short stacking energy: -44.771
Base-Backbone interact. energy: -0.053
local terms energy: -57.350302
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -11.462
flat angles P-C4'-P energy: -9.901
tors. eta vs tors. theta energy: -6.531
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: 9
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -132.444916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.444916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.444916 (E_RNA)
where:
Base-Base interactions energy: -87.175
where: short stacking energy: -36.582
Base-Backbone interact. energy: -0.060
local terms energy: -45.209067
where:
bonds (distance) C4'-P energy: -11.904
bonds (distance) P-C4' energy: -9.783
flat angles C4'-P-C4' energy: -9.682
flat angles P-C4'-P energy: -8.508
tors. eta vs tors. theta energy: -5.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -91.567323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.567323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.567323 (E_RNA)
where:
Base-Base interactions energy: -41.128
where: short stacking energy: -41.128
Base-Backbone interact. energy: -0.152
local terms energy: -50.286811
where:
bonds (distance) C4'-P energy: -14.213
bonds (distance) P-C4' energy: -11.414
flat angles C4'-P-C4' energy: -14.017
flat angles P-C4'-P energy: -4.851
tors. eta vs tors. theta energy: -5.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -76.240623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.240623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.240623 (E_RNA)
where:
Base-Base interactions energy: -25.066
where: short stacking energy: -25.066
Base-Backbone interact. energy: -0.236
local terms energy: -50.939404
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -13.350
flat angles P-C4'-P energy: -8.617
tors. eta vs tors. theta energy: -0.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -91.503378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.503378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.503378 (E_RNA)
where:
Base-Base interactions energy: -32.260
where: short stacking energy: -32.056
Base-Backbone interact. energy: -0.886
local terms energy: -58.356750
where:
bonds (distance) C4'-P energy: -17.542
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -6.026
flat angles P-C4'-P energy: -11.842
tors. eta vs tors. theta energy: -7.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -204.744510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.744510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.744510 (E_RNA)
where:
Base-Base interactions energy: -133.399
where: short stacking energy: -58.170
Base-Backbone interact. energy: -0.276
local terms energy: -71.070141
where:
bonds (distance) C4'-P energy: -10.195
bonds (distance) P-C4' energy: -16.902
flat angles C4'-P-C4' energy: -15.973
flat angles P-C4'-P energy: -12.161
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: 2, replica: 2
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -211.539527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.539527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.539527 (E_RNA)
where:
Base-Base interactions energy: -136.063
where: short stacking energy: -60.209
Base-Backbone interact. energy: 1.239
local terms energy: -76.715382
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -15.878
flat angles P-C4'-P energy: -12.679
tors. eta vs tors. theta energy: -16.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -182.027143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.027143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.027143 (E_RNA)
where:
Base-Base interactions energy: -108.455
where: short stacking energy: -60.939
Base-Backbone interact. energy: -0.447
local terms energy: -73.125321
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -16.045
flat angles P-C4'-P energy: -8.446
tors. eta vs tors. theta energy: -17.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -188.908277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.908277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.908277 (E_RNA)
where:
Base-Base interactions energy: -116.652
where: short stacking energy: -64.104
Base-Backbone interact. energy: -1.159
local terms energy: -71.097785
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -14.788
flat angles C4'-P-C4' energy: -13.501
flat angles P-C4'-P energy: -12.043
tors. eta vs tors. theta energy: -15.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -161.840054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.840054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.840054 (E_RNA)
where:
Base-Base interactions energy: -100.955
where: short stacking energy: -59.858
Base-Backbone interact. energy: -0.005
local terms energy: -60.879650
where:
bonds (distance) C4'-P energy: -10.218
bonds (distance) P-C4' energy: -15.914
flat angles C4'-P-C4' energy: -10.720
flat angles P-C4'-P energy: -8.763
tors. eta vs tors. theta energy: -15.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -113.748078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.748078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.748078 (E_RNA)
where:
Base-Base interactions energy: -47.249
where: short stacking energy: -47.249
Base-Backbone interact. energy: -0.087
local terms energy: -66.411964
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -14.855
flat angles C4'-P-C4' energy: -10.726
flat angles P-C4'-P energy: -11.905
tors. eta vs tors. theta energy: -15.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -157.535042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.535042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.535042 (E_RNA)
where:
Base-Base interactions energy: -100.916
where: short stacking energy: -46.245
Base-Backbone interact. energy: 0.158
local terms energy: -56.777506
where:
bonds (distance) C4'-P energy: -13.062
bonds (distance) P-C4' energy: -12.345
flat angles C4'-P-C4' energy: -11.830
flat angles P-C4'-P energy: -12.097
tors. eta vs tors. theta energy: -7.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -89.731321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.731321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.731321 (E_RNA)
where:
Base-Base interactions energy: -33.832
where: short stacking energy: -26.189
Base-Backbone interact. energy: 0.015
local terms energy: -55.914475
where:
bonds (distance) C4'-P energy: -14.141
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -11.505
flat angles P-C4'-P energy: -8.745
tors. eta vs tors. theta energy: -4.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -85.108281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.108281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.108281 (E_RNA)
where:
Base-Base interactions energy: -30.754
where: short stacking energy: -30.754
Base-Backbone interact. energy: -1.238
local terms energy: -53.116471
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -14.901
flat angles P-C4'-P energy: -8.650
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: 10
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -88.819578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.819578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.819578 (E_RNA)
where:
Base-Base interactions energy: -30.943
where: short stacking energy: -25.844
Base-Backbone interact. energy: -0.075
local terms energy: -57.801862
where:
bonds (distance) C4'-P energy: -13.912
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -13.301
flat angles P-C4'-P energy: -9.071
tors. eta vs tors. theta energy: -5.408
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: 7
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -213.258608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.258608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.258608 (E_RNA)
where:
Base-Base interactions energy: -138.884
where: short stacking energy: -64.442
Base-Backbone interact. energy: -0.106
local terms energy: -74.268137
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -13.045
flat angles C4'-P-C4' energy: -15.956
flat angles P-C4'-P energy: -12.628
tors. eta vs tors. theta energy: -16.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -175.366483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.366483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.366483 (E_RNA)
where:
Base-Base interactions energy: -110.469
where: short stacking energy: -62.334
Base-Backbone interact. energy: -1.628
local terms energy: -63.269229
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -13.313
flat angles C4'-P-C4' energy: -14.709
flat angles P-C4'-P energy: -8.023
tors. eta vs tors. theta energy: -13.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -184.734110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.734110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.734110 (E_RNA)
where:
Base-Base interactions energy: -119.153
where: short stacking energy: -55.322
Base-Backbone interact. energy: -0.049
local terms energy: -65.532357
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -16.384
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -4.351
tors. eta vs tors. theta energy: -13.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -176.466691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.466691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.466691 (E_RNA)
where:
Base-Base interactions energy: -108.160
where: short stacking energy: -59.852
Base-Backbone interact. energy: 0.399
local terms energy: -68.705475
where:
bonds (distance) C4'-P energy: -14.771
bonds (distance) P-C4' energy: -10.156
flat angles C4'-P-C4' energy: -15.775
flat angles P-C4'-P energy: -11.767
tors. eta vs tors. theta energy: -16.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -167.128228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.128228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.128228 (E_RNA)
where:
Base-Base interactions energy: -101.955
where: short stacking energy: -58.086
Base-Backbone interact. energy: -0.718
local terms energy: -64.454489
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -9.632
flat angles C4'-P-C4' energy: -16.582
flat angles P-C4'-P energy: -7.710
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: 6, replica: 9
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -158.403407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.403407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.403407 (E_RNA)
where:
Base-Base interactions energy: -99.140
where: short stacking energy: -52.352
Base-Backbone interact. energy: -0.041
local terms energy: -59.222293
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -7.529
flat angles P-C4'-P energy: -3.830
tors. eta vs tors. theta energy: -13.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -89.255826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.255826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.255826 (E_RNA)
where:
Base-Base interactions energy: -43.447
where: short stacking energy: -29.903
Base-Backbone interact. energy: -0.072
local terms energy: -45.736385
where:
bonds (distance) C4'-P energy: -8.128
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -11.673
flat angles P-C4'-P energy: -4.078
tors. eta vs tors. theta energy: -5.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -94.569351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.569351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.569351 (E_RNA)
where:
Base-Base interactions energy: -35.701
where: short stacking energy: -35.199
Base-Backbone interact. energy: 0.041
local terms energy: -58.909858
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -13.886
flat angles P-C4'-P energy: -7.542
tors. eta vs tors. theta energy: -9.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -75.131505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.131505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.131505 (E_RNA)
where:
Base-Base interactions energy: -35.082
where: short stacking energy: -29.048
Base-Backbone interact. energy: 0.010
local terms energy: -40.059556
where:
bonds (distance) C4'-P energy: -8.535
bonds (distance) P-C4' energy: -11.469
flat angles C4'-P-C4' energy: -7.922
flat angles P-C4'-P energy: -10.768
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)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -72.152812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.152812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.152812 (E_RNA)
where:
Base-Base interactions energy: -24.706
where: short stacking energy: -24.706
Base-Backbone interact. energy: 0.154
local terms energy: -47.600208
where:
bonds (distance) C4'-P energy: -11.543
bonds (distance) P-C4' energy: -10.316
flat angles C4'-P-C4' energy: -14.392
flat angles P-C4'-P energy: -9.680
tors. eta vs tors. theta energy: -1.670
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: 1, replica: 5
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -200.151284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.151284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.151284 (E_RNA)
where:
Base-Base interactions energy: -122.182
where: short stacking energy: -55.401
Base-Backbone interact. energy: -0.045
local terms energy: -77.924332
where:
bonds (distance) C4'-P energy: -16.918
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: -15.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -207.904925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.904925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.904925 (E_RNA)
where:
Base-Base interactions energy: -135.066
where: short stacking energy: -61.987
Base-Backbone interact. energy: -0.072
local terms energy: -72.767059
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -16.247
flat angles P-C4'-P energy: -10.108
tors. eta vs tors. theta energy: -15.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -177.597151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.597151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.597151 (E_RNA)
where:
Base-Base interactions energy: -112.425
where: short stacking energy: -49.036
Base-Backbone interact. energy: -0.440
local terms energy: -64.731325
where:
bonds (distance) C4'-P energy: -14.013
bonds (distance) P-C4' energy: -13.392
flat angles C4'-P-C4' energy: -14.683
flat angles P-C4'-P energy: -8.788
tors. eta vs tors. theta energy: -13.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -163.898025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.898025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.898025 (E_RNA)
where:
Base-Base interactions energy: -103.717
where: short stacking energy: -52.911
Base-Backbone interact. energy: 0.938
local terms energy: -61.119280
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -13.092
flat angles C4'-P-C4' energy: -12.840
flat angles P-C4'-P energy: -8.976
tors. eta vs tors. theta energy: -11.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -181.840239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.840239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.840239 (E_RNA)
where:
Base-Base interactions energy: -119.112
where: short stacking energy: -50.583
Base-Backbone interact. energy: -0.399
local terms energy: -62.329813
where:
bonds (distance) C4'-P energy: -11.061
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -14.499
flat angles P-C4'-P energy: -8.351
tors. eta vs tors. theta energy: -11.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -148.347879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.347879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.347879 (E_RNA)
where:
Base-Base interactions energy: -89.841
where: short stacking energy: -45.634
Base-Backbone interact. energy: -0.340
local terms energy: -58.167333
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -14.655
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -8.139
tors. eta vs tors. theta energy: -6.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -95.776046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.776046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.776046 (E_RNA)
where:
Base-Base interactions energy: -42.525
where: short stacking energy: -29.147
Base-Backbone interact. energy: -0.061
local terms energy: -53.189757
where:
bonds (distance) C4'-P energy: -15.801
bonds (distance) P-C4' energy: -11.921
flat angles C4'-P-C4' energy: -12.019
flat angles P-C4'-P energy: -9.946
tors. eta vs tors. theta energy: -3.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -84.361615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.361615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.361615 (E_RNA)
where:
Base-Base interactions energy: -36.450
where: short stacking energy: -36.049
Base-Backbone interact. energy: -0.112
local terms energy: -47.800430
where:
bonds (distance) C4'-P energy: -12.141
bonds (distance) P-C4' energy: -10.995
flat angles C4'-P-C4' energy: -12.223
flat angles P-C4'-P energy: -6.220
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: 9, replica: 10
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -80.348933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.348933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.348933 (E_RNA)
where:
Base-Base interactions energy: -35.236
where: short stacking energy: -28.700
Base-Backbone interact. energy: -0.431
local terms energy: -44.681874
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -11.768
flat angles C4'-P-C4' energy: -8.872
flat angles P-C4'-P energy: -5.442
tors. eta vs tors. theta energy: -3.872
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: 1
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -85.142591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.142591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.142591 (E_RNA)
where:
Base-Base interactions energy: -44.623
where: short stacking energy: -29.934
Base-Backbone interact. energy: -1.170
local terms energy: -39.348931
where:
bonds (distance) C4'-P energy: -10.473
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -6.837
flat angles P-C4'-P energy: -6.548
tors. eta vs tors. theta energy: -2.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -194.937270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.937270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.937270 (E_RNA)
where:
Base-Base interactions energy: -118.942
where: short stacking energy: -63.895
Base-Backbone interact. energy: -0.000
local terms energy: -75.995188
where:
bonds (distance) C4'-P energy: -14.898
bonds (distance) P-C4' energy: -16.745
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -9.527
tors. eta vs tors. theta energy: -19.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -187.011842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.011842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.011842 (E_RNA)
where:
Base-Base interactions energy: -110.444
where: short stacking energy: -49.081
Base-Backbone interact. energy: -0.224
local terms energy: -76.343791
where:
bonds (distance) C4'-P energy: -16.832
bonds (distance) P-C4' energy: -16.187
flat angles C4'-P-C4' energy: -17.587
flat angles P-C4'-P energy: -12.359
tors. eta vs tors. theta energy: -13.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -190.764915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.764915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.764915 (E_RNA)
where:
Base-Base interactions energy: -126.537
where: short stacking energy: -60.392
Base-Backbone interact. energy: -0.054
local terms energy: -64.173621
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -11.264
flat angles C4'-P-C4' energy: -17.230
flat angles P-C4'-P energy: -6.153
tors. eta vs tors. theta energy: -13.827
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: 9
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -198.239580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.239580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.239580 (E_RNA)
where:
Base-Base interactions energy: -125.535
where: short stacking energy: -64.493
Base-Backbone interact. energy: -0.013
local terms energy: -72.691365
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -15.217
flat angles C4'-P-C4' energy: -17.508
flat angles P-C4'-P energy: -8.553
tors. eta vs tors. theta energy: -15.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -163.258843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.258843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.258843 (E_RNA)
where:
Base-Base interactions energy: -100.203
where: short stacking energy: -63.788
Base-Backbone interact. energy: -0.168
local terms energy: -62.888521
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -11.523
flat angles C4'-P-C4' energy: -17.723
flat angles P-C4'-P energy: -8.514
tors. eta vs tors. theta energy: -11.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -150.206922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.206922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.206922 (E_RNA)
where:
Base-Base interactions energy: -87.309
where: short stacking energy: -50.666
Base-Backbone interact. energy: -0.168
local terms energy: -62.729349
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -13.566
flat angles C4'-P-C4' energy: -16.546
flat angles P-C4'-P energy: -6.284
tors. eta vs tors. theta energy: -12.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -101.404881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.404881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.404881 (E_RNA)
where:
Base-Base interactions energy: -45.355
where: short stacking energy: -43.628
Base-Backbone interact. energy: -0.563
local terms energy: -55.486670
where:
bonds (distance) C4'-P energy: -9.142
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -11.095
flat angles P-C4'-P energy: -12.231
tors. eta vs tors. theta energy: -8.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -81.024757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.024757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.024757 (E_RNA)
where:
Base-Base interactions energy: -40.881
where: short stacking energy: -33.534
Base-Backbone interact. energy: 1.292
local terms energy: -41.435978
where:
bonds (distance) C4'-P energy: -11.876
bonds (distance) P-C4' energy: -11.305
flat angles C4'-P-C4' energy: -11.641
flat angles P-C4'-P energy: -7.326
tors. eta vs tors. theta energy: 0.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -81.351918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.351918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.351918 (E_RNA)
where:
Base-Base interactions energy: -19.909
where: short stacking energy: -19.909
Base-Backbone interact. energy: -0.666
local terms energy: -60.777672
where:
bonds (distance) C4'-P energy: -15.443
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -14.595
flat angles P-C4'-P energy: -11.545
tors. eta vs tors. theta energy: -3.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -84.478300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.478300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.478300 (E_RNA)
where:
Base-Base interactions energy: -43.707
where: short stacking energy: -30.598
Base-Backbone interact. energy: -0.215
local terms energy: -40.556589
where:
bonds (distance) C4'-P energy: -7.222
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -11.858
flat angles P-C4'-P energy: -7.324
tors. eta vs tors. theta energy: 1.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -198.080948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.080948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.080948 (E_RNA)
where:
Base-Base interactions energy: -128.241
where: short stacking energy: -60.887
Base-Backbone interact. energy: -0.567
local terms energy: -69.272678
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -8.322
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -13.714
tors. eta vs tors. theta energy: -18.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -194.399727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.399727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.399727 (E_RNA)
where:
Base-Base interactions energy: -131.055
where: short stacking energy: -64.306
Base-Backbone interact. energy: -0.010
local terms energy: -63.335178
where:
bonds (distance) C4'-P energy: -11.818
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -13.909
flat angles P-C4'-P energy: -4.064
tors. eta vs tors. theta energy: -15.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -182.892840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.892840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.892840 (E_RNA)
where:
Base-Base interactions energy: -110.176
where: short stacking energy: -65.358
Base-Backbone interact. energy: -0.539
local terms energy: -72.177769
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -14.824
flat angles P-C4'-P energy: -8.324
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: 4, replica: 9
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -188.413855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.413855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.413855 (E_RNA)
where:
Base-Base interactions energy: -122.969
where: short stacking energy: -52.180
Base-Backbone interact. energy: -0.029
local terms energy: -65.416390
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -15.692
flat angles C4'-P-C4' energy: -12.471
flat angles P-C4'-P energy: -8.683
tors. eta vs tors. theta energy: -14.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -166.619007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.619007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.619007 (E_RNA)
where:
Base-Base interactions energy: -97.984
where: short stacking energy: -59.374
Base-Backbone interact. energy: -0.037
local terms energy: -68.597910
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -15.123
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -14.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -175.132175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.132175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.132175 (E_RNA)
where:
Base-Base interactions energy: -105.563
where: short stacking energy: -58.738
Base-Backbone interact. energy: -0.001
local terms energy: -69.568601
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -15.164
flat angles P-C4'-P energy: -7.729
tors. eta vs tors. theta energy: -19.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -92.812942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.812942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.812942 (E_RNA)
where:
Base-Base interactions energy: -35.916
where: short stacking energy: -33.273
Base-Backbone interact. energy: -0.543
local terms energy: -56.353715
where:
bonds (distance) C4'-P energy: -14.696
bonds (distance) P-C4' energy: -13.751
flat angles C4'-P-C4' energy: -10.928
flat angles P-C4'-P energy: -8.945
tors. eta vs tors. theta energy: -8.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -88.885645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.885645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.885645 (E_RNA)
where:
Base-Base interactions energy: -30.981
where: short stacking energy: -30.981
Base-Backbone interact. energy: -0.060
local terms energy: -57.845227
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -14.366
flat angles C4'-P-C4' energy: -12.531
flat angles P-C4'-P energy: -7.789
tors. eta vs tors. theta energy: -7.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -85.366458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.366458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.366458 (E_RNA)
where:
Base-Base interactions energy: -33.373
where: short stacking energy: -33.373
Base-Backbone interact. energy: -0.132
local terms energy: -51.861001
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -9.204
flat angles P-C4'-P energy: -7.550
tors. eta vs tors. theta energy: -6.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -87.084760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.084760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.084760 (E_RNA)
where:
Base-Base interactions energy: -37.924
where: short stacking energy: -27.013
Base-Backbone interact. energy: 0.084
local terms energy: -49.244860
where:
bonds (distance) C4'-P energy: -13.062
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -11.888
flat angles P-C4'-P energy: -9.304
tors. eta vs tors. theta energy: -1.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -207.113213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.113213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.113213 (E_RNA)
where:
Base-Base interactions energy: -132.336
where: short stacking energy: -63.582
Base-Backbone interact. energy: -0.007
local terms energy: -74.770608
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -13.437
flat angles C4'-P-C4' energy: -16.479
flat angles P-C4'-P energy: -9.556
tors. eta vs tors. theta energy: -19.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -192.318164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.318164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.318164 (E_RNA)
where:
Base-Base interactions energy: -125.359
where: short stacking energy: -61.307
Base-Backbone interact. energy: 0.529
local terms energy: -67.487872
where:
bonds (distance) C4'-P energy: -10.737
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -15.013
flat angles P-C4'-P energy: -10.834
tors. eta vs tors. theta energy: -15.332
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: 7
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -195.602558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.602558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.602558 (E_RNA)
where:
Base-Base interactions energy: -127.397
where: short stacking energy: -58.782
Base-Backbone interact. energy: -0.205
local terms energy: -68.000035
where:
bonds (distance) C4'-P energy: -10.385
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -15.596
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: -14.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -207.268825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.268825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.268825 (E_RNA)
where:
Base-Base interactions energy: -128.591
where: short stacking energy: -70.035
Base-Backbone interact. energy: -0.001
local terms energy: -78.677556
where:
bonds (distance) C4'-P energy: -16.918
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -13.280
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: -23.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -155.789998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.789998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.789998 (E_RNA)
where:
Base-Base interactions energy: -91.270
where: short stacking energy: -42.997
Base-Backbone interact. energy: -0.028
local terms energy: -64.492213
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -14.382
flat angles P-C4'-P energy: -10.668
tors. eta vs tors. theta energy: -10.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -166.585534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.585534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.585534 (E_RNA)
where:
Base-Base interactions energy: -95.275
where: short stacking energy: -51.781
Base-Backbone interact. energy: 0.483
local terms energy: -71.793726
where:
bonds (distance) C4'-P energy: -15.203
bonds (distance) P-C4' energy: -18.116
flat angles C4'-P-C4' energy: -13.180
flat angles P-C4'-P energy: -9.954
tors. eta vs tors. theta energy: -15.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -93.504560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.504560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.504560 (E_RNA)
where:
Base-Base interactions energy: -36.658
where: short stacking energy: -36.104
Base-Backbone interact. energy: -0.051
local terms energy: -56.794850
where:
bonds (distance) C4'-P energy: -10.571
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -14.876
flat angles P-C4'-P energy: -10.966
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: 8, replica: 1
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -100.863546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.863546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.863546 (E_RNA)
where:
Base-Base interactions energy: -45.379
where: short stacking energy: -29.853
Base-Backbone interact. energy: -2.423
local terms energy: -53.061132
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -9.671
flat angles C4'-P-C4' energy: -13.436
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -5.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -87.410322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.410322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.410322 (E_RNA)
where:
Base-Base interactions energy: -34.266
where: short stacking energy: -23.487
Base-Backbone interact. energy: -0.505
local terms energy: -52.639668
where:
bonds (distance) C4'-P energy: -11.997
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -9.044
flat angles P-C4'-P energy: -11.500
tors. eta vs tors. theta energy: -4.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -78.608964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.608964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.608964 (E_RNA)
where:
Base-Base interactions energy: -29.235
where: short stacking energy: -26.284
Base-Backbone interact. energy: -0.122
local terms energy: -49.252597
where:
bonds (distance) C4'-P energy: -11.866
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -9.873
flat angles P-C4'-P energy: -9.201
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: 1, replica: 5
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -220.613807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.613807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.613807 (E_RNA)
where:
Base-Base interactions energy: -144.187
where: short stacking energy: -65.480
Base-Backbone interact. energy: -0.596
local terms energy: -75.830313
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -13.138
flat angles P-C4'-P energy: -11.805
tors. eta vs tors. theta energy: -19.170
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: 4
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -200.977649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.977649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.977649 (E_RNA)
where:
Base-Base interactions energy: -131.004
where: short stacking energy: -58.051
Base-Backbone interact. energy: -0.441
local terms energy: -69.532355
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -15.935
flat angles P-C4'-P energy: -9.642
tors. eta vs tors. theta energy: -14.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -191.768880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.768880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.768880 (E_RNA)
where:
Base-Base interactions energy: -125.690
where: short stacking energy: -60.842
Base-Backbone interact. energy: -0.065
local terms energy: -66.014081
where:
bonds (distance) C4'-P energy: -12.317
bonds (distance) P-C4' energy: -15.159
flat angles C4'-P-C4' energy: -13.211
flat angles P-C4'-P energy: -8.698
tors. eta vs tors. theta energy: -16.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -185.945252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.945252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.945252 (E_RNA)
where:
Base-Base interactions energy: -118.440
where: short stacking energy: -53.051
Base-Backbone interact. energy: -0.343
local terms energy: -67.161739
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -13.110
flat angles P-C4'-P energy: -11.563
tors. eta vs tors. theta energy: -12.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -181.875370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.875370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.875370 (E_RNA)
where:
Base-Base interactions energy: -112.393
where: short stacking energy: -57.747
Base-Backbone interact. energy: 0.365
local terms energy: -69.847323
where:
bonds (distance) C4'-P energy: -15.702
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -8.592
tors. eta vs tors. theta energy: -13.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -160.920303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.920303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.920303 (E_RNA)
where:
Base-Base interactions energy: -102.750
where: short stacking energy: -51.848
Base-Backbone interact. energy: -0.418
local terms energy: -57.752101
where:
bonds (distance) C4'-P energy: -7.615
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -15.251
flat angles P-C4'-P energy: -8.255
tors. eta vs tors. theta energy: -12.557
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: 7, replica: 3
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -111.336386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.336386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.336386 (E_RNA)
where:
Base-Base interactions energy: -50.931
where: short stacking energy: -44.980
Base-Backbone interact. energy: -0.017
local terms energy: -60.388717
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -15.016
flat angles C4'-P-C4' energy: -12.114
flat angles P-C4'-P energy: -6.896
tors. eta vs tors. theta energy: -11.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -83.564729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.564729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.564729 (E_RNA)
where:
Base-Base interactions energy: -35.087
where: short stacking energy: -28.616
Base-Backbone interact. energy: -0.362
local terms energy: -48.115459
where:
bonds (distance) C4'-P energy: -12.696
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -10.248
flat angles P-C4'-P energy: -6.405
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: 9, replica: 10
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -86.068659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.068659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.068659 (E_RNA)
where:
Base-Base interactions energy: -33.021
where: short stacking energy: -29.423
Base-Backbone interact. energy: 0.615
local terms energy: -53.663265
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -15.994
flat angles P-C4'-P energy: -6.456
tors. eta vs tors. theta energy: -3.211
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: 6
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -84.172547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.172547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.172547 (E_RNA)
where:
Base-Base interactions energy: -31.577
where: short stacking energy: -27.972
Base-Backbone interact. energy: -0.101
local terms energy: -52.494532
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -10.913
flat angles P-C4'-P energy: -9.652
tors. eta vs tors. theta energy: -3.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -214.805849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.805849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.805849 (E_RNA)
where:
Base-Base interactions energy: -141.065
where: short stacking energy: -68.287
Base-Backbone interact. energy: -0.276
local terms energy: -73.464482
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -14.146
flat angles C4'-P-C4' energy: -14.738
flat angles P-C4'-P energy: -14.393
tors. eta vs tors. theta energy: -15.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -193.202677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.202677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.202677 (E_RNA)
where:
Base-Base interactions energy: -124.096
where: short stacking energy: -50.136
Base-Backbone interact. energy: -0.029
local terms energy: -69.078060
where:
bonds (distance) C4'-P energy: -13.733
bonds (distance) P-C4' energy: -12.649
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -7.160
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: 4
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -195.105363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.105363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.105363 (E_RNA)
where:
Base-Base interactions energy: -126.979
where: short stacking energy: -52.112
Base-Backbone interact. energy: -0.126
local terms energy: -67.999454
where:
bonds (distance) C4'-P energy: -12.016
bonds (distance) P-C4' energy: -12.760
flat angles C4'-P-C4' energy: -16.193
flat angles P-C4'-P energy: -12.202
tors. eta vs tors. theta energy: -14.827
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: 149
Temperature: 1.050000
Total energy: -181.019892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.019892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.019892 (E_RNA)
where:
Base-Base interactions energy: -110.422
where: short stacking energy: -65.215
Base-Backbone interact. energy: -0.057
local terms energy: -70.540792
where:
bonds (distance) C4'-P energy: -9.889
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -17.311
flat angles P-C4'-P energy: -10.662
tors. eta vs tors. theta energy: -16.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -170.221503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.221503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.221503 (E_RNA)
where:
Base-Base interactions energy: -103.550
where: short stacking energy: -44.991
Base-Backbone interact. energy: 0.741
local terms energy: -67.412559
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -14.420
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: -11.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -147.149458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.149458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.149458 (E_RNA)
where:
Base-Base interactions energy: -80.677
where: short stacking energy: -39.897
Base-Backbone interact. energy: 0.345
local terms energy: -66.817341
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -16.828
flat angles P-C4'-P energy: -10.557
tors. eta vs tors. theta energy: -10.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -103.985071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.985071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.985071 (E_RNA)
where:
Base-Base interactions energy: -48.770
where: short stacking energy: -41.366
Base-Backbone interact. energy: -0.189
local terms energy: -55.026539
where:
bonds (distance) C4'-P energy: -10.212
bonds (distance) P-C4' energy: -13.630
flat angles C4'-P-C4' energy: -14.813
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -6.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -100.308962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.308962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.308962 (E_RNA)
where:
Base-Base interactions energy: -36.984
where: short stacking energy: -33.370
Base-Backbone interact. energy: -0.225
local terms energy: -63.099779
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -16.561
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -13.155
tors. eta vs tors. theta energy: -5.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -87.342832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.342832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.342832 (E_RNA)
where:
Base-Base interactions energy: -36.718
where: short stacking energy: -30.209
Base-Backbone interact. energy: -0.063
local terms energy: -50.561856
where:
bonds (distance) C4'-P energy: -10.634
bonds (distance) P-C4' energy: -11.892
flat angles C4'-P-C4' energy: -12.225
flat angles P-C4'-P energy: -9.953
tors. eta vs tors. theta energy: -5.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -91.444955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.444955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.444955 (E_RNA)
where:
Base-Base interactions energy: -47.480
where: short stacking energy: -30.158
Base-Backbone interact. energy: 0.983
local terms energy: -44.948662
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -14.267
flat angles C4'-P-C4' energy: -10.336
flat angles P-C4'-P energy: -4.616
tors. eta vs tors. theta energy: -2.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -202.395780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.395780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.395780 (E_RNA)
where:
Base-Base interactions energy: -130.324
where: short stacking energy: -58.414
Base-Backbone interact. energy: -0.665
local terms energy: -71.406559
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -13.863
flat angles C4'-P-C4' energy: -15.790
flat angles P-C4'-P energy: -11.461
tors. eta vs tors. theta energy: -16.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -209.346782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.346782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.346782 (E_RNA)
where:
Base-Base interactions energy: -137.181
where: short stacking energy: -66.531
Base-Backbone interact. energy: -0.386
local terms energy: -71.780007
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -16.463
flat angles C4'-P-C4' energy: -12.929
flat angles P-C4'-P energy: -8.889
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: 2
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -193.622873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.622873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.622873 (E_RNA)
where:
Base-Base interactions energy: -122.682
where: short stacking energy: -63.139
Base-Backbone interact. energy: -0.185
local terms energy: -70.755505
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -12.978
flat angles C4'-P-C4' energy: -16.232
flat angles P-C4'-P energy: -11.209
tors. eta vs tors. theta energy: -15.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -198.402492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.402492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.402492 (E_RNA)
where:
Base-Base interactions energy: -128.961
where: short stacking energy: -62.331
Base-Backbone interact. energy: -0.111
local terms energy: -69.330439
where:
bonds (distance) C4'-P energy: -15.941
bonds (distance) P-C4' energy: -13.777
flat angles C4'-P-C4' energy: -10.297
flat angles P-C4'-P energy: -9.001
tors. eta vs tors. theta energy: -20.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -158.435796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.435796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.435796 (E_RNA)
where:
Base-Base interactions energy: -93.373
where: short stacking energy: -50.239
Base-Backbone interact. energy: -0.573
local terms energy: -64.489635
where:
bonds (distance) C4'-P energy: -14.830
bonds (distance) P-C4' energy: -14.975
flat angles C4'-P-C4' energy: -16.510
flat angles P-C4'-P energy: -7.117
tors. eta vs tors. theta energy: -11.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -178.258558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.258558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.258558 (E_RNA)
where:
Base-Base interactions energy: -122.848
where: short stacking energy: -49.944
Base-Backbone interact. energy: -0.942
local terms energy: -54.467815
where:
bonds (distance) C4'-P energy: -9.823
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -12.083
flat angles P-C4'-P energy: -4.641
tors. eta vs tors. theta energy: -14.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -103.958302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.958302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.958302 (E_RNA)
where:
Base-Base interactions energy: -51.431
where: short stacking energy: -28.852
Base-Backbone interact. energy: 2.331
local terms energy: -54.858113
where:
bonds (distance) C4'-P energy: -12.260
bonds (distance) P-C4' energy: -13.864
flat angles C4'-P-C4' energy: -16.428
flat angles P-C4'-P energy: -11.267
tors. eta vs tors. theta energy: -1.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -106.778547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.778547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.778547 (E_RNA)
where:
Base-Base interactions energy: -47.401
where: short stacking energy: -41.235
Base-Backbone interact. energy: -0.007
local terms energy: -59.369726
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -14.847
flat angles C4'-P-C4' energy: -13.938
flat angles P-C4'-P energy: -3.333
tors. eta vs tors. theta energy: -13.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -84.433731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.433731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.433731 (E_RNA)
where:
Base-Base interactions energy: -35.890
where: short stacking energy: -35.890
Base-Backbone interact. energy: 0.727
local terms energy: -49.270630
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -8.523
flat angles C4'-P-C4' energy: -11.655
flat angles P-C4'-P energy: -9.287
tors. eta vs tors. theta energy: -5.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -82.761716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.761716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.761716 (E_RNA)
where:
Base-Base interactions energy: -30.880
where: short stacking energy: -30.102
Base-Backbone interact. energy: -0.093
local terms energy: -51.788093
where:
bonds (distance) C4'-P energy: -8.430
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -12.604
flat angles P-C4'-P energy: -7.409
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: 1, replica: 9
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -204.281922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.281922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.281922 (E_RNA)
where:
Base-Base interactions energy: -136.254
where: short stacking energy: -58.037
Base-Backbone interact. energy: -0.219
local terms energy: -67.808983
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -13.177
flat angles C4'-P-C4' energy: -12.428
flat angles P-C4'-P energy: -9.816
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: 2, replica: 5
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -206.235811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.235811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.235811 (E_RNA)
where:
Base-Base interactions energy: -129.515
where: short stacking energy: -54.936
Base-Backbone interact. energy: -0.250
local terms energy: -76.470831
where:
bonds (distance) C4'-P energy: -12.514
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -16.898
flat angles P-C4'-P energy: -12.223
tors. eta vs tors. theta energy: -17.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -194.283496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.283496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.283496 (E_RNA)
where:
Base-Base interactions energy: -132.855
where: short stacking energy: -48.818
Base-Backbone interact. energy: 0.445
local terms energy: -61.873736
where:
bonds (distance) C4'-P energy: -15.824
bonds (distance) P-C4' energy: -10.975
flat angles C4'-P-C4' energy: -12.051
flat angles P-C4'-P energy: -9.914
tors. eta vs tors. theta energy: -13.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -173.080962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.080962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.080962 (E_RNA)
where:
Base-Base interactions energy: -104.631
where: short stacking energy: -61.072
Base-Backbone interact. energy: -0.640
local terms energy: -67.810244
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -15.729
flat angles P-C4'-P energy: -8.231
tors. eta vs tors. theta energy: -15.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -177.693531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.693531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.693531 (E_RNA)
where:
Base-Base interactions energy: -107.141
where: short stacking energy: -50.586
Base-Backbone interact. energy: 1.926
local terms energy: -72.478053
where:
bonds (distance) C4'-P energy: -17.534
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -15.281
flat angles P-C4'-P energy: -10.254
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: 7
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -165.596461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.596461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.596461 (E_RNA)
where:
Base-Base interactions energy: -104.351
where: short stacking energy: -54.803
Base-Backbone interact. energy: -0.076
local terms energy: -61.169577
where:
bonds (distance) C4'-P energy: -8.783
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -14.572
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: -10.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -99.210749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.210749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.210749 (E_RNA)
where:
Base-Base interactions energy: -43.717
where: short stacking energy: -42.010
Base-Backbone interact. energy: -0.110
local terms energy: -55.382889
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -11.329
flat angles P-C4'-P energy: -7.390
tors. eta vs tors. theta energy: -8.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -97.705997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.705997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.705997 (E_RNA)
where:
Base-Base interactions energy: -36.838
where: short stacking energy: -34.491
Base-Backbone interact. energy: -0.009
local terms energy: -60.858371
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -15.816
flat angles P-C4'-P energy: -7.816
tors. eta vs tors. theta energy: -6.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -79.455918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.455918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.455918 (E_RNA)
where:
Base-Base interactions energy: -34.617
where: short stacking energy: -26.907
Base-Backbone interact. energy: -0.125
local terms energy: -44.713558
where:
bonds (distance) C4'-P energy: -8.593
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -6.797
flat angles P-C4'-P energy: -10.496
tors. eta vs tors. theta energy: -3.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -76.370828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.370828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.370828 (E_RNA)
where:
Base-Base interactions energy: -26.509
where: short stacking energy: -24.622
Base-Backbone interact. energy: 0.371
local terms energy: -50.233169
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -10.946
flat angles P-C4'-P energy: -7.715
tors. eta vs tors. theta energy: -0.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -203.910053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.910053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.910053 (E_RNA)
where:
Base-Base interactions energy: -132.357
where: short stacking energy: -68.522
Base-Backbone interact. energy: -0.136
local terms energy: -71.417971
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -16.236
flat angles P-C4'-P energy: -5.650
tors. eta vs tors. theta energy: -18.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -213.081910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.081910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.081910 (E_RNA)
where:
Base-Base interactions energy: -137.753
where: short stacking energy: -65.802
Base-Backbone interact. energy: 0.515
local terms energy: -75.843807
where:
bonds (distance) C4'-P energy: -16.549
bonds (distance) P-C4' energy: -17.092
flat angles C4'-P-C4' energy: -13.966
flat angles P-C4'-P energy: -9.680
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: 3, replica: 8
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -173.773507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.773507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.773507 (E_RNA)
where:
Base-Base interactions energy: -102.406
where: short stacking energy: -64.168
Base-Backbone interact. energy: -2.904
local terms energy: -68.464077
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -13.537
flat angles C4'-P-C4' energy: -17.721
flat angles P-C4'-P energy: -8.265
tors. eta vs tors. theta energy: -15.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -171.606325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.606325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.606325 (E_RNA)
where:
Base-Base interactions energy: -99.594
where: short stacking energy: -61.924
Base-Backbone interact. energy: -0.472
local terms energy: -71.540532
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -13.831
flat angles C4'-P-C4' energy: -16.389
flat angles P-C4'-P energy: -11.347
tors. eta vs tors. theta energy: -16.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -186.817195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.817195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.817195 (E_RNA)
where:
Base-Base interactions energy: -128.569
where: short stacking energy: -52.473
Base-Backbone interact. energy: -0.659
local terms energy: -57.589153
where:
bonds (distance) C4'-P energy: -6.544
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -13.974
flat angles P-C4'-P energy: -11.532
tors. eta vs tors. theta energy: -13.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -152.445331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.445331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.445331 (E_RNA)
where:
Base-Base interactions energy: -103.326
where: short stacking energy: -46.363
Base-Backbone interact. energy: -0.087
local terms energy: -49.031602
where:
bonds (distance) C4'-P energy: -5.235
bonds (distance) P-C4' energy: -10.487
flat angles C4'-P-C4' energy: -16.660
flat angles P-C4'-P energy: -4.074
tors. eta vs tors. theta energy: -12.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -100.539500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.539500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.539500 (E_RNA)
where:
Base-Base interactions energy: -50.498
where: short stacking energy: -35.975
Base-Backbone interact. energy: 0.041
local terms energy: -50.082440
where:
bonds (distance) C4'-P energy: -9.225
bonds (distance) P-C4' energy: -17.997
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -4.365
tors. eta vs tors. theta energy: -4.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -80.914664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.914664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.914664 (E_RNA)
where:
Base-Base interactions energy: -30.318
where: short stacking energy: -22.757
Base-Backbone interact. energy: 4.272
local terms energy: -54.868821
where:
bonds (distance) C4'-P energy: -16.470
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -8.820
flat angles P-C4'-P energy: -9.167
tors. eta vs tors. theta energy: -3.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -80.885047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.885047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.885047 (E_RNA)
where:
Base-Base interactions energy: -38.320
where: short stacking energy: -28.179
Base-Backbone interact. energy: -0.248
local terms energy: -42.317132
where:
bonds (distance) C4'-P energy: -11.903
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -10.930
flat angles P-C4'-P energy: -3.767
tors. eta vs tors. theta energy: -0.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -75.389510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.389510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.389510 (E_RNA)
where:
Base-Base interactions energy: -23.334
where: short stacking energy: -18.045
Base-Backbone interact. energy: -0.097
local terms energy: -51.957718
where:
bonds (distance) C4'-P energy: -10.459
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -12.606
flat angles P-C4'-P energy: -10.193
tors. eta vs tors. theta energy: -1.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -209.105628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.105628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.105628 (E_RNA)
where:
Base-Base interactions energy: -134.761
where: short stacking energy: -67.189
Base-Backbone interact. energy: -0.139
local terms energy: -74.205634
where:
bonds (distance) C4'-P energy: -12.709
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -10.842
flat angles P-C4'-P energy: -11.232
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: 5
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -213.157791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.157791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.157791 (E_RNA)
where:
Base-Base interactions energy: -138.810
where: short stacking energy: -65.755
Base-Backbone interact. energy: -0.627
local terms energy: -73.720514
where:
bonds (distance) C4'-P energy: -16.099
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -14.943
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: -16.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -160.729421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.729421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.729421 (E_RNA)
where:
Base-Base interactions energy: -97.323
where: short stacking energy: -49.119
Base-Backbone interact. energy: -0.175
local terms energy: -63.231002
where:
bonds (distance) C4'-P energy: -17.067
bonds (distance) P-C4' energy: -12.082
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -6.568
tors. eta vs tors. theta energy: -14.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -171.761491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.761491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.761491 (E_RNA)
where:
Base-Base interactions energy: -109.751
where: short stacking energy: -44.724
Base-Backbone interact. energy: -0.156
local terms energy: -61.854392
where:
bonds (distance) C4'-P energy: -16.619
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -9.129
flat angles P-C4'-P energy: -11.250
tors. eta vs tors. theta energy: -9.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -170.916625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.916625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.916625 (E_RNA)
where:
Base-Base interactions energy: -107.895
where: short stacking energy: -54.262
Base-Backbone interact. energy: -0.658
local terms energy: -62.363345
where:
bonds (distance) C4'-P energy: -12.997
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -13.364
tors. eta vs tors. theta energy: -8.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -168.644787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.644787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.644787 (E_RNA)
where:
Base-Base interactions energy: -101.098
where: short stacking energy: -46.566
Base-Backbone interact. energy: -0.006
local terms energy: -67.540813
where:
bonds (distance) C4'-P energy: -14.903
bonds (distance) P-C4' energy: -13.567
flat angles C4'-P-C4' energy: -17.611
flat angles P-C4'-P energy: -6.943
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: 7, replica: 3
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -103.574828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.574828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.574828 (E_RNA)
where:
Base-Base interactions energy: -62.146
where: short stacking energy: -34.234
Base-Backbone interact. energy: -0.202
local terms energy: -41.227266
where:
bonds (distance) C4'-P energy: -9.562
bonds (distance) P-C4' energy: -12.828
flat angles C4'-P-C4' energy: -7.338
flat angles P-C4'-P energy: -11.018
tors. eta vs tors. theta energy: -0.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -93.784024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.784024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.784024 (E_RNA)
where:
Base-Base interactions energy: -36.709
where: short stacking energy: -27.922
Base-Backbone interact. energy: -0.042
local terms energy: -57.032881
where:
bonds (distance) C4'-P energy: -14.706
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -9.302
flat angles P-C4'-P energy: -7.964
tors. eta vs tors. theta energy: -7.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -129.211141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.211141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.211141 (E_RNA)
where:
Base-Base interactions energy: -78.423
where: short stacking energy: -44.589
Base-Backbone interact. energy: -0.021
local terms energy: -50.766438
where:
bonds (distance) C4'-P energy: -13.471
bonds (distance) P-C4' energy: -16.463
flat angles C4'-P-C4' energy: -11.536
flat angles P-C4'-P energy: -5.052
tors. eta vs tors. theta energy: -4.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -88.080576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.080576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.080576 (E_RNA)
where:
Base-Base interactions energy: -32.500
where: short stacking energy: -28.732
Base-Backbone interact. energy: 0.268
local terms energy: -55.848828
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -13.827
flat angles C4'-P-C4' energy: -16.326
flat angles P-C4'-P energy: -9.200
tors. eta vs tors. theta energy: -1.262
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: 5
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -229.888419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.888419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.888419 (E_RNA)
where:
Base-Base interactions energy: -149.222
where: short stacking energy: -66.441
Base-Backbone interact. energy: -0.038
local terms energy: -80.628390
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -15.651
flat angles P-C4'-P energy: -14.523
tors. eta vs tors. theta energy: -17.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -210.882846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.882846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.882846 (E_RNA)
where:
Base-Base interactions energy: -143.102
where: short stacking energy: -65.743
Base-Backbone interact. energy: -0.109
local terms energy: -67.672085
where:
bonds (distance) C4'-P energy: -13.692
bonds (distance) P-C4' energy: -12.073
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -8.710
tors. eta vs tors. theta energy: -18.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -178.850753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.850753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.850753 (E_RNA)
where:
Base-Base interactions energy: -111.560
where: short stacking energy: -57.265
Base-Backbone interact. energy: -0.122
local terms energy: -67.168393
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -13.229
flat angles C4'-P-C4' energy: -18.146
flat angles P-C4'-P energy: -8.461
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: 4, replica: 8
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -177.124802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.124802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.124802 (E_RNA)
where:
Base-Base interactions energy: -109.046
where: short stacking energy: -60.037
Base-Backbone interact. energy: -0.177
local terms energy: -67.902390
where:
bonds (distance) C4'-P energy: -11.156
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -15.880
flat angles P-C4'-P energy: -10.885
tors. eta vs tors. theta energy: -14.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -167.635745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.635745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.635745 (E_RNA)
where:
Base-Base interactions energy: -107.763
where: short stacking energy: -44.332
Base-Backbone interact. energy: -0.579
local terms energy: -59.294359
where:
bonds (distance) C4'-P energy: -13.375
bonds (distance) P-C4' energy: -17.439
flat angles C4'-P-C4' energy: -14.719
flat angles P-C4'-P energy: -3.493
tors. eta vs tors. theta energy: -10.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -141.458947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.458947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.458947 (E_RNA)
where:
Base-Base interactions energy: -100.553
where: short stacking energy: -41.714
Base-Backbone interact. energy: -0.226
local terms energy: -40.680690
where:
bonds (distance) C4'-P energy: -11.652
bonds (distance) P-C4' energy: -13.222
flat angles C4'-P-C4' energy: -11.447
flat angles P-C4'-P energy: -0.695
tors. eta vs tors. theta energy: -3.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -89.009759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.009759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.009759 (E_RNA)
where:
Base-Base interactions energy: -36.409
where: short stacking energy: -26.278
Base-Backbone interact. energy: -0.225
local terms energy: -52.375714
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -17.171
flat angles C4'-P-C4' energy: -11.993
flat angles P-C4'-P energy: -9.767
tors. eta vs tors. theta energy: -1.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -91.433136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.433136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.433136 (E_RNA)
where:
Base-Base interactions energy: -42.822
where: short stacking energy: -30.511
Base-Backbone interact. energy: 0.135
local terms energy: -48.746207
where:
bonds (distance) C4'-P energy: -10.492
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -11.540
flat angles P-C4'-P energy: -10.093
tors. eta vs tors. theta energy: -3.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -140.535019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.535019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.535019 (E_RNA)
where:
Base-Base interactions energy: -91.691
where: short stacking energy: -37.857
Base-Backbone interact. energy: -0.213
local terms energy: -48.631314
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -11.007
flat angles C4'-P-C4' energy: -11.327
flat angles P-C4'-P energy: -9.187
tors. eta vs tors. theta energy: -5.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -78.785958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.785958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.785958 (E_RNA)
where:
Base-Base interactions energy: -38.760
where: short stacking energy: -25.980
Base-Backbone interact. energy: -0.353
local terms energy: -39.673255
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -12.746
flat angles C4'-P-C4' energy: -4.601
flat angles P-C4'-P energy: -7.207
tors. eta vs tors. theta energy: -0.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -215.310853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.310853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.310853 (E_RNA)
where:
Base-Base interactions energy: -134.733
where: short stacking energy: -67.858
Base-Backbone interact. energy: -0.479
local terms energy: -80.098565
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -17.265
flat angles P-C4'-P energy: -11.225
tors. eta vs tors. theta energy: -21.525
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: 155
Temperature: 0.950000
Total energy: -191.793568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.793568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.793568 (E_RNA)
where:
Base-Base interactions energy: -127.572
where: short stacking energy: -59.490
Base-Backbone interact. energy: -0.326
local terms energy: -63.895761
where:
bonds (distance) C4'-P energy: -16.214
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -12.714
flat angles P-C4'-P energy: -8.199
tors. eta vs tors. theta energy: -10.344
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: 9
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -206.969804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.969804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.969804 (E_RNA)
where:
Base-Base interactions energy: -139.670
where: short stacking energy: -61.391
Base-Backbone interact. energy: -0.006
local terms energy: -67.293908
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -8.682
flat angles C4'-P-C4' energy: -15.294
flat angles P-C4'-P energy: -11.501
tors. eta vs tors. theta energy: -19.088
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: 8
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -176.396746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.396746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.396746 (E_RNA)
where:
Base-Base interactions energy: -105.313
where: short stacking energy: -59.136
Base-Backbone interact. energy: -0.145
local terms energy: -70.938751
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -15.288
flat angles C4'-P-C4' energy: -15.879
flat angles P-C4'-P energy: -8.906
tors. eta vs tors. theta energy: -16.585
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: 2
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -187.108851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.108851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.108851 (E_RNA)
where:
Base-Base interactions energy: -126.655
where: short stacking energy: -65.976
Base-Backbone interact. energy: -0.013
local terms energy: -60.441405
where:
bonds (distance) C4'-P energy: -11.623
bonds (distance) P-C4' energy: -15.657
flat angles C4'-P-C4' energy: -13.385
flat angles P-C4'-P energy: -5.351
tors. eta vs tors. theta energy: -14.426
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: 155
Temperature: 1.150000
Total energy: -150.986210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.986210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.986210 (E_RNA)
where:
Base-Base interactions energy: -88.983
where: short stacking energy: -41.783
Base-Backbone interact. energy: -1.105
local terms energy: -60.897958
where:
bonds (distance) C4'-P energy: -16.511
bonds (distance) P-C4' energy: -13.396
flat angles C4'-P-C4' energy: -14.244
flat angles P-C4'-P energy: -10.690
tors. eta vs tors. theta energy: -6.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -103.676847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.676847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.676847 (E_RNA)
where:
Base-Base interactions energy: -60.142
where: short stacking energy: -54.956
Base-Backbone interact. energy: -0.031
local terms energy: -43.504503
where:
bonds (distance) C4'-P energy: -15.443
bonds (distance) P-C4' energy: -7.748
flat angles C4'-P-C4' energy: -9.130
flat angles P-C4'-P energy: -4.565
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: 10
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -81.924728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.924728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.924728 (E_RNA)
where:
Base-Base interactions energy: -23.374
where: short stacking energy: -23.374
Base-Backbone interact. energy: -0.346
local terms energy: -58.205319
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -15.196
flat angles P-C4'-P energy: -9.469
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: 9, replica: 3
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -94.872011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.872011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.872011 (E_RNA)
where:
Base-Base interactions energy: -44.723
where: short stacking energy: -42.201
Base-Backbone interact. energy: -0.103
local terms energy: -50.045786
where:
bonds (distance) C4'-P energy: -11.354
bonds (distance) P-C4' energy: -8.660
flat angles C4'-P-C4' energy: -13.511
flat angles P-C4'-P energy: -9.584
tors. eta vs tors. theta energy: -6.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -76.529675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.529675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.529675 (E_RNA)
where:
Base-Base interactions energy: -24.851
where: short stacking energy: -19.389
Base-Backbone interact. energy: -0.196
local terms energy: -51.482839
where:
bonds (distance) C4'-P energy: -12.012
bonds (distance) P-C4' energy: -14.044
flat angles C4'-P-C4' energy: -15.540
flat angles P-C4'-P energy: -11.095
tors. eta vs tors. theta energy: 1.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -185.910999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.910999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.910999 (E_RNA)
where:
Base-Base interactions energy: -119.336
where: short stacking energy: -49.141
Base-Backbone interact. energy: -0.210
local terms energy: -66.364418
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -17.593
flat angles P-C4'-P energy: -9.127
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: 2, replica: 5
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -212.154854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.154854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.154854 (E_RNA)
where:
Base-Base interactions energy: -136.251
where: short stacking energy: -66.321
Base-Backbone interact. energy: -0.073
local terms energy: -75.831012
where:
bonds (distance) C4'-P energy: -10.405
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -18.607
flat angles P-C4'-P energy: -10.940
tors. eta vs tors. theta energy: -20.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -197.117506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.117506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.117506 (E_RNA)
where:
Base-Base interactions energy: -129.359
where: short stacking energy: -63.748
Base-Backbone interact. energy: -0.262
local terms energy: -67.497144
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -6.989
tors. eta vs tors. theta energy: -16.472
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: 8
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -162.201174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.201174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.201174 (E_RNA)
where:
Base-Base interactions energy: -105.348
where: short stacking energy: -55.042
Base-Backbone interact. energy: -0.071
local terms energy: -56.782624
where:
bonds (distance) C4'-P energy: -13.487
bonds (distance) P-C4' energy: -13.187
flat angles C4'-P-C4' energy: -13.202
flat angles P-C4'-P energy: -9.979
tors. eta vs tors. theta energy: -6.928
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: 5, replica: 2
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -182.698918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.698918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.698918 (E_RNA)
where:
Base-Base interactions energy: -118.752
where: short stacking energy: -57.138
Base-Backbone interact. energy: -0.031
local terms energy: -63.915429
where:
bonds (distance) C4'-P energy: -10.111
bonds (distance) P-C4' energy: -14.847
flat angles C4'-P-C4' energy: -13.621
flat angles P-C4'-P energy: -8.602
tors. eta vs tors. theta energy: -16.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -154.718016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.718016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.718016 (E_RNA)
where:
Base-Base interactions energy: -91.773
where: short stacking energy: -48.822
Base-Backbone interact. energy: -0.051
local terms energy: -62.894716
where:
bonds (distance) C4'-P energy: -11.039
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -13.752
flat angles P-C4'-P energy: -12.378
tors. eta vs tors. theta energy: -9.305
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: 7, replica: 10
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -87.202912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.202912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.202912 (E_RNA)
where:
Base-Base interactions energy: -38.879
where: short stacking energy: -33.161
Base-Backbone interact. energy: -0.022
local terms energy: -48.302393
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -16.075
flat angles P-C4'-P energy: -2.074
tors. eta vs tors. theta energy: -0.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -116.025971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.025971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.025971 (E_RNA)
where:
Base-Base interactions energy: -63.439
where: short stacking energy: -32.299
Base-Backbone interact. energy: -0.231
local terms energy: -52.356220
where:
bonds (distance) C4'-P energy: -12.152
bonds (distance) P-C4' energy: -13.784
flat angles C4'-P-C4' energy: -13.273
flat angles P-C4'-P energy: -3.082
tors. eta vs tors. theta energy: -10.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -84.566144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.566144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.566144 (E_RNA)
where:
Base-Base interactions energy: -45.464
where: short stacking energy: -28.351
Base-Backbone interact. energy: 2.757
local terms energy: -41.858918
where:
bonds (distance) C4'-P energy: -7.871
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -9.166
flat angles P-C4'-P energy: -7.639
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: 10, replica: 3
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -107.676183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.676183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.676183 (E_RNA)
where:
Base-Base interactions energy: -60.300
where: short stacking energy: -33.710
Base-Backbone interact. energy: -0.463
local terms energy: -46.912719
where:
bonds (distance) C4'-P energy: -13.282
bonds (distance) P-C4' energy: -16.943
flat angles C4'-P-C4' energy: -9.037
flat angles P-C4'-P energy: -7.466
tors. eta vs tors. theta energy: -0.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -194.317041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.317041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.317041 (E_RNA)
where:
Base-Base interactions energy: -126.894
where: short stacking energy: -53.426
Base-Backbone interact. energy: -0.031
local terms energy: -67.392929
where:
bonds (distance) C4'-P energy: -10.961
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -12.792
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: 2, replica: 5
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -219.802825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.802825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.802825 (E_RNA)
where:
Base-Base interactions energy: -139.451
where: short stacking energy: -74.719
Base-Backbone interact. energy: -0.770
local terms energy: -79.582314
where:
bonds (distance) C4'-P energy: -12.198
bonds (distance) P-C4' energy: -15.016
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -14.160
tors. eta vs tors. theta energy: -21.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -191.184514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.184514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.184514 (E_RNA)
where:
Base-Base interactions energy: -123.841
where: short stacking energy: -61.353
Base-Backbone interact. energy: 1.203
local terms energy: -68.546389
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -15.378
flat angles P-C4'-P energy: -9.509
tors. eta vs tors. theta energy: -13.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -184.323083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.323083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.323083 (E_RNA)
where:
Base-Base interactions energy: -109.454
where: short stacking energy: -52.605
Base-Backbone interact. energy: 0.451
local terms energy: -75.320148
where:
bonds (distance) C4'-P energy: -15.261
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -15.669
flat angles P-C4'-P energy: -11.627
tors. eta vs tors. theta energy: -16.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -154.850133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.850133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.850133 (E_RNA)
where:
Base-Base interactions energy: -92.831
where: short stacking energy: -56.645
Base-Backbone interact. energy: -0.197
local terms energy: -61.822221
where:
bonds (distance) C4'-P energy: -9.213
bonds (distance) P-C4' energy: -12.580
flat angles C4'-P-C4' energy: -14.717
flat angles P-C4'-P energy: -8.372
tors. eta vs tors. theta energy: -16.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -109.481768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.481768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.481768 (E_RNA)
where:
Base-Base interactions energy: -47.031
where: short stacking energy: -41.082
Base-Backbone interact. energy: -0.079
local terms energy: -62.371788
where:
bonds (distance) C4'-P energy: -9.064
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -17.126
flat angles P-C4'-P energy: -8.924
tors. eta vs tors. theta energy: -10.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -150.720241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.720241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.720241 (E_RNA)
where:
Base-Base interactions energy: -91.924
where: short stacking energy: -47.154
Base-Backbone interact. energy: -0.109
local terms energy: -58.686571
where:
bonds (distance) C4'-P energy: -14.201
bonds (distance) P-C4' energy: -12.406
flat angles C4'-P-C4' energy: -11.974
flat angles P-C4'-P energy: -10.134
tors. eta vs tors. theta energy: -9.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -88.702514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.702514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.702514 (E_RNA)
where:
Base-Base interactions energy: -38.897
where: short stacking energy: -33.164
Base-Backbone interact. energy: -0.014
local terms energy: -49.790613
where:
bonds (distance) C4'-P energy: -11.773
bonds (distance) P-C4' energy: -13.784
flat angles C4'-P-C4' energy: -11.895
flat angles P-C4'-P energy: -6.235
tors. eta vs tors. theta energy: -6.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -76.881927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.881927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.881927 (E_RNA)
where:
Base-Base interactions energy: -35.645
where: short stacking energy: -28.826
Base-Backbone interact. energy: -0.625
local terms energy: -40.611760
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -11.983
flat angles C4'-P-C4' energy: -12.548
flat angles P-C4'-P energy: -3.983
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: 10, replica: 3
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -98.625717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.625717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.625717 (E_RNA)
where:
Base-Base interactions energy: -50.040
where: short stacking energy: -19.447
Base-Backbone interact. energy: 0.257
local terms energy: -48.843399
where:
bonds (distance) C4'-P energy: -9.601
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -15.586
flat angles P-C4'-P energy: -10.797
tors. eta vs tors. theta energy: 5.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -217.651536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.651536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.651536 (E_RNA)
where:
Base-Base interactions energy: -141.372
where: short stacking energy: -75.641
Base-Backbone interact. energy: 0.270
local terms energy: -76.549613
where:
bonds (distance) C4'-P energy: -14.039
bonds (distance) P-C4' energy: -12.193
flat angles C4'-P-C4' energy: -16.250
flat angles P-C4'-P energy: -13.034
tors. eta vs tors. theta energy: -21.032
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: 4
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -196.703001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.703001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.703001 (E_RNA)
where:
Base-Base interactions energy: -130.506
where: short stacking energy: -63.085
Base-Backbone interact. energy: -0.025
local terms energy: -66.172451
where:
bonds (distance) C4'-P energy: -12.354
bonds (distance) P-C4' energy: -16.240
flat angles C4'-P-C4' energy: -13.208
flat angles P-C4'-P energy: -9.524
tors. eta vs tors. theta energy: -14.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -189.387649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.387649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.387649 (E_RNA)
where:
Base-Base interactions energy: -121.028
where: short stacking energy: -57.327
Base-Backbone interact. energy: 0.267
local terms energy: -68.626459
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: -13.033
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: 158
Temperature: 1.050000
Total energy: -187.051338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.051338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.051338 (E_RNA)
where:
Base-Base interactions energy: -125.293
where: short stacking energy: -59.803
Base-Backbone interact. energy: 0.020
local terms energy: -61.778440
where:
bonds (distance) C4'-P energy: -12.401
bonds (distance) P-C4' energy: -12.400
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -8.518
tors. eta vs tors. theta energy: -12.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -155.192601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.192601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.192601 (E_RNA)
where:
Base-Base interactions energy: -90.799
where: short stacking energy: -51.329
Base-Backbone interact. energy: -0.670
local terms energy: -63.723707
where:
bonds (distance) C4'-P energy: -11.698
bonds (distance) P-C4' energy: -15.139
flat angles C4'-P-C4' energy: -11.896
flat angles P-C4'-P energy: -11.687
tors. eta vs tors. theta energy: -13.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -118.261432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.261432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.261432 (E_RNA)
where:
Base-Base interactions energy: -54.661
where: short stacking energy: -44.650
Base-Backbone interact. energy: 0.499
local terms energy: -64.098667
where:
bonds (distance) C4'-P energy: -15.451
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -14.825
flat angles P-C4'-P energy: -9.200
tors. eta vs tors. theta energy: -9.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -157.155603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.155603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.155603 (E_RNA)
where:
Base-Base interactions energy: -104.893
where: short stacking energy: -47.063
Base-Backbone interact. energy: 0.404
local terms energy: -52.667125
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -9.888
flat angles C4'-P-C4' energy: -14.651
flat angles P-C4'-P energy: -6.293
tors. eta vs tors. theta energy: -8.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -103.465795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.465795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.465795 (E_RNA)
where:
Base-Base interactions energy: -41.478
where: short stacking energy: -31.920
Base-Backbone interact. energy: -0.207
local terms energy: -61.780903
where:
bonds (distance) C4'-P energy: -11.945
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -11.583
tors. eta vs tors. theta energy: -7.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -84.433996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.433996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.433996 (E_RNA)
where:
Base-Base interactions energy: -33.980
where: short stacking energy: -25.753
Base-Backbone interact. energy: -0.028
local terms energy: -50.426425
where:
bonds (distance) C4'-P energy: -10.642
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -8.558
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: 10, replica: 1
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -80.006490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.006490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.006490 (E_RNA)
where:
Base-Base interactions energy: -30.986
where: short stacking energy: -26.720
Base-Backbone interact. energy: -0.151
local terms energy: -48.868946
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -12.536
flat angles C4'-P-C4' energy: -13.031
flat angles P-C4'-P energy: -7.123
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: 5
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -215.604626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.604626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.604626 (E_RNA)
where:
Base-Base interactions energy: -135.256
where: short stacking energy: -64.769
Base-Backbone interact. energy: 0.427
local terms energy: -80.774822
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -17.852
flat angles P-C4'-P energy: -15.158
tors. eta vs tors. theta energy: -19.178
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: 9
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -189.649040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.649040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.649040 (E_RNA)
where:
Base-Base interactions energy: -120.865
where: short stacking energy: -56.391
Base-Backbone interact. energy: 0.787
local terms energy: -69.571791
where:
bonds (distance) C4'-P energy: -12.065
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -13.520
flat angles P-C4'-P energy: -13.760
tors. eta vs tors. theta energy: -13.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -190.622425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.622425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.622425 (E_RNA)
where:
Base-Base interactions energy: -114.381
where: short stacking energy: -61.783
Base-Backbone interact. energy: -0.002
local terms energy: -76.238828
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -10.727
flat angles C4'-P-C4' energy: -18.314
flat angles P-C4'-P energy: -11.308
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: 4, replica: 8
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -157.565132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.565132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.565132 (E_RNA)
where:
Base-Base interactions energy: -93.365
where: short stacking energy: -54.188
Base-Backbone interact. energy: -0.096
local terms energy: -64.103497
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -13.337
flat angles C4'-P-C4' energy: -15.271
flat angles P-C4'-P energy: -11.232
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: 5, replica: 2
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -178.078564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.078564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.078564 (E_RNA)
where:
Base-Base interactions energy: -115.018
where: short stacking energy: -59.632
Base-Backbone interact. energy: -0.009
local terms energy: -63.051383
where:
bonds (distance) C4'-P energy: -13.872
bonds (distance) P-C4' energy: -11.736
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -8.847
tors. eta vs tors. theta energy: -14.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -155.672568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.672568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.672568 (E_RNA)
where:
Base-Base interactions energy: -97.911
where: short stacking energy: -52.108
Base-Backbone interact. energy: -0.073
local terms energy: -57.688677
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -13.247
flat angles C4'-P-C4' energy: -14.224
flat angles P-C4'-P energy: -5.255
tors. eta vs tors. theta energy: -12.731
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: 10
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -104.082841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.082841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.082841 (E_RNA)
where:
Base-Base interactions energy: -52.267
where: short stacking energy: -33.658
Base-Backbone interact. energy: -0.244
local terms energy: -51.571304
where:
bonds (distance) C4'-P energy: -8.993
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -8.994
flat angles P-C4'-P energy: -9.489
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: 8, replica: 3
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -91.266591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.266591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.266591 (E_RNA)
where:
Base-Base interactions energy: -38.380
where: short stacking energy: -24.542
Base-Backbone interact. energy: -0.145
local terms energy: -52.741537
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -15.258
flat angles P-C4'-P energy: -3.454
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: 6
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -79.236220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.236220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.236220 (E_RNA)
where:
Base-Base interactions energy: -38.522
where: short stacking energy: -36.760
Base-Backbone interact. energy: -0.137
local terms energy: -40.577099
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -11.833
flat angles C4'-P-C4' energy: -11.746
flat angles P-C4'-P energy: -1.081
tors. eta vs tors. theta energy: -3.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -80.308882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.308882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.308882 (E_RNA)
where:
Base-Base interactions energy: -36.251
where: short stacking energy: -31.427
Base-Backbone interact. energy: -0.188
local terms energy: -43.870679
where:
bonds (distance) C4'-P energy: -9.735
bonds (distance) P-C4' energy: -15.575
flat angles C4'-P-C4' energy: -9.717
flat angles P-C4'-P energy: -0.894
tors. eta vs tors. theta energy: -7.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -212.289262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.289262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.289262 (E_RNA)
where:
Base-Base interactions energy: -135.707
where: short stacking energy: -66.360
Base-Backbone interact. energy: -1.174
local terms energy: -75.408327
where:
bonds (distance) C4'-P energy: -13.259
bonds (distance) P-C4' energy: -18.687
flat angles C4'-P-C4' energy: -15.694
flat angles P-C4'-P energy: -12.273
tors. eta vs tors. theta energy: -15.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -199.658200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.658200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.658200 (E_RNA)
where:
Base-Base interactions energy: -135.633
where: short stacking energy: -65.120
Base-Backbone interact. energy: -0.068
local terms energy: -63.956653
where:
bonds (distance) C4'-P energy: -15.263
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -14.584
flat angles P-C4'-P energy: -7.617
tors. eta vs tors. theta energy: -11.376
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: 8
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -176.547928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.547928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.547928 (E_RNA)
where:
Base-Base interactions energy: -101.854
where: short stacking energy: -51.675
Base-Backbone interact. energy: -0.023
local terms energy: -74.670704
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -14.859
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: -16.041
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: 160
Temperature: 1.050000
Total energy: -183.559300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.559300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.559300 (E_RNA)
where:
Base-Base interactions energy: -111.818
where: short stacking energy: -64.942
Base-Backbone interact. energy: -0.043
local terms energy: -71.698810
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -11.939
flat angles P-C4'-P energy: -12.787
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: 5, replica: 2
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -163.906199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.906199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.906199 (E_RNA)
where:
Base-Base interactions energy: -101.384
where: short stacking energy: -56.772
Base-Backbone interact. energy: -0.078
local terms energy: -62.444052
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -12.806
flat angles P-C4'-P energy: -4.901
tors. eta vs tors. theta energy: -14.943
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: 7
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -174.580333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.580333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.580333 (E_RNA)
where:
Base-Base interactions energy: -114.742
where: short stacking energy: -57.091
Base-Backbone interact. energy: -0.288
local terms energy: -59.550464
where:
bonds (distance) C4'-P energy: -12.440
bonds (distance) P-C4' energy: -11.500
flat angles C4'-P-C4' energy: -10.856
flat angles P-C4'-P energy: -8.038
tors. eta vs tors. theta energy: -16.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -93.969916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.969916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.969916 (E_RNA)
where:
Base-Base interactions energy: -48.302
where: short stacking energy: -30.396
Base-Backbone interact. energy: -0.513
local terms energy: -45.155073
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -10.650
flat angles C4'-P-C4' energy: -10.731
flat angles P-C4'-P energy: -8.884
tors. eta vs tors. theta energy: -1.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -95.575486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.575486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.575486 (E_RNA)
where:
Base-Base interactions energy: -51.008
where: short stacking energy: -40.983
Base-Backbone interact. energy: -0.724
local terms energy: -43.844251
where:
bonds (distance) C4'-P energy: -10.030
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -4.589
flat angles P-C4'-P energy: -9.444
tors. eta vs tors. theta energy: -4.612
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: 9, replica: 1
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -91.656422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.656422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.656422 (E_RNA)
where:
Base-Base interactions energy: -42.848
where: short stacking energy: -42.848
Base-Backbone interact. energy: -0.013
local terms energy: -48.794942
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -8.789
flat angles P-C4'-P energy: -1.549
tors. eta vs tors. theta energy: -10.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -74.218009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.218009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.218009 (E_RNA)
where:
Base-Base interactions energy: -20.111
where: short stacking energy: -15.607
Base-Backbone interact. energy: -0.253
local terms energy: -53.853333
where:
bonds (distance) C4'-P energy: -12.696
bonds (distance) P-C4' energy: -14.834
flat angles C4'-P-C4' energy: -14.027
flat angles P-C4'-P energy: -10.467
tors. eta vs tors. theta energy: -1.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -210.184661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.184661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.184661 (E_RNA)
where:
Base-Base interactions energy: -131.059
where: short stacking energy: -73.880
Base-Backbone interact. energy: -0.227
local terms energy: -78.899566
where:
bonds (distance) C4'-P energy: -14.401
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -12.877
tors. eta vs tors. theta energy: -20.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -191.406188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.406188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.406188 (E_RNA)
where:
Base-Base interactions energy: -121.993
where: short stacking energy: -62.179
Base-Backbone interact. energy: -0.002
local terms energy: -69.411377
where:
bonds (distance) C4'-P energy: -16.242
bonds (distance) P-C4' energy: -12.132
flat angles C4'-P-C4' energy: -15.132
flat angles P-C4'-P energy: -12.670
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: 3, replica: 8
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -179.425390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.425390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.425390 (E_RNA)
where:
Base-Base interactions energy: -111.701
where: short stacking energy: -61.557
Base-Backbone interact. energy: 0.082
local terms energy: -67.806228
where:
bonds (distance) C4'-P energy: -7.974
bonds (distance) P-C4' energy: -14.330
flat angles C4'-P-C4' energy: -16.391
flat angles P-C4'-P energy: -11.343
tors. eta vs tors. theta energy: -17.768
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: 4, replica: 2
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -190.823528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.823528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.823528 (E_RNA)
where:
Base-Base interactions energy: -120.772
where: short stacking energy: -62.502
Base-Backbone interact. energy: -0.097
local terms energy: -69.954118
where:
bonds (distance) C4'-P energy: -12.492
bonds (distance) P-C4' energy: -14.642
flat angles C4'-P-C4' energy: -12.861
flat angles P-C4'-P energy: -11.956
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: 4
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -190.385121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.385121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.385121 (E_RNA)
where:
Base-Base interactions energy: -131.345
where: short stacking energy: -59.792
Base-Backbone interact. energy: -0.914
local terms energy: -58.126568
where:
bonds (distance) C4'-P energy: -6.319
bonds (distance) P-C4' energy: -13.008
flat angles C4'-P-C4' energy: -14.386
flat angles P-C4'-P energy: -11.325
tors. eta vs tors. theta energy: -13.088
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: 7
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -173.330837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.330837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.330837 (E_RNA)
where:
Base-Base interactions energy: -116.109
where: short stacking energy: -50.670
Base-Backbone interact. energy: -0.225
local terms energy: -56.996048
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -11.719
flat angles C4'-P-C4' energy: -11.749
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -9.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -100.726628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.726628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.726628 (E_RNA)
where:
Base-Base interactions energy: -41.529
where: short stacking energy: -40.139
Base-Backbone interact. energy: -0.029
local terms energy: -59.168793
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -14.277
flat angles C4'-P-C4' energy: -14.722
flat angles P-C4'-P energy: -5.754
tors. eta vs tors. theta energy: -8.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -86.810255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.810255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.810255 (E_RNA)
where:
Base-Base interactions energy: -28.930
where: short stacking energy: -25.466
Base-Backbone interact. energy: -0.463
local terms energy: -57.416598
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -12.458
flat angles P-C4'-P energy: -10.891
tors. eta vs tors. theta energy: -4.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -79.459830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.459830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.459830 (E_RNA)
where:
Base-Base interactions energy: -31.496
where: short stacking energy: -19.860
Base-Backbone interact. energy: 0.372
local terms energy: -48.336120
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -13.624
flat angles P-C4'-P energy: -2.689
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: 6
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -78.389818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.389818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.389818 (E_RNA)
where:
Base-Base interactions energy: -29.153
where: short stacking energy: -30.753
Base-Backbone interact. energy: -0.177
local terms energy: -49.059338
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -12.510
flat angles C4'-P-C4' energy: -11.206
flat angles P-C4'-P energy: -9.911
tors. eta vs tors. theta energy: -0.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -212.190846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.190846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.190846 (E_RNA)
where:
Base-Base interactions energy: -131.716
where: short stacking energy: -69.498
Base-Backbone interact. energy: -0.047
local terms energy: -80.427861
where:
bonds (distance) C4'-P energy: -15.949
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -16.188
flat angles P-C4'-P energy: -14.598
tors. eta vs tors. theta energy: -17.493
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: 162
Temperature: 0.950000
Total energy: -182.373008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.373008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.373008 (E_RNA)
where:
Base-Base interactions energy: -117.875
where: short stacking energy: -53.174
Base-Backbone interact. energy: -0.081
local terms energy: -64.416477
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -14.099
flat angles P-C4'-P energy: -10.468
tors. eta vs tors. theta energy: -13.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -181.134610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.134610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.134610 (E_RNA)
where:
Base-Base interactions energy: -115.820
where: short stacking energy: -56.318
Base-Backbone interact. energy: -0.303
local terms energy: -65.012164
where:
bonds (distance) C4'-P energy: -13.781
bonds (distance) P-C4' energy: -17.372
flat angles C4'-P-C4' energy: -16.208
flat angles P-C4'-P energy: -12.004
tors. eta vs tors. theta energy: -5.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -167.017887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.017887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.017887 (E_RNA)
where:
Base-Base interactions energy: -103.939
where: short stacking energy: -62.463
Base-Backbone interact. energy: -0.049
local terms energy: -63.029854
where:
bonds (distance) C4'-P energy: -8.283
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -12.806
flat angles P-C4'-P energy: -12.703
tors. eta vs tors. theta energy: -12.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -172.155833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.155833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.155833 (E_RNA)
where:
Base-Base interactions energy: -113.923
where: short stacking energy: -56.743
Base-Backbone interact. energy: -0.010
local terms energy: -58.222208
where:
bonds (distance) C4'-P energy: -9.673
bonds (distance) P-C4' energy: -13.253
flat angles C4'-P-C4' energy: -11.576
flat angles P-C4'-P energy: -8.112
tors. eta vs tors. theta energy: -15.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -139.848754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.848754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.848754 (E_RNA)
where:
Base-Base interactions energy: -86.968
where: short stacking energy: -33.402
Base-Backbone interact. energy: -0.127
local terms energy: -52.752835
where:
bonds (distance) C4'-P energy: -12.794
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -14.653
flat angles P-C4'-P energy: -6.493
tors. eta vs tors. theta energy: -3.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -93.621021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.621021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.621021 (E_RNA)
where:
Base-Base interactions energy: -37.490
where: short stacking energy: -37.490
Base-Backbone interact. energy: 3.301
local terms energy: -59.432700
where:
bonds (distance) C4'-P energy: -10.899
bonds (distance) P-C4' energy: -15.571
flat angles C4'-P-C4' energy: -16.270
flat angles P-C4'-P energy: -9.958
tors. eta vs tors. theta energy: -6.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -84.867661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.867661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.867661 (E_RNA)
where:
Base-Base interactions energy: -28.395
where: short stacking energy: -28.395
Base-Backbone interact. energy: 0.120
local terms energy: -56.592389
where:
bonds (distance) C4'-P energy: -10.538
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -15.724
flat angles P-C4'-P energy: -9.851
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: 6
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -77.655491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.655491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.655491 (E_RNA)
where:
Base-Base interactions energy: -37.904
where: short stacking energy: -32.332
Base-Backbone interact. energy: -0.266
local terms energy: -39.485356
where:
bonds (distance) C4'-P energy: -7.338
bonds (distance) P-C4' energy: -7.683
flat angles C4'-P-C4' energy: -14.661
flat angles P-C4'-P energy: -5.318
tors. eta vs tors. theta energy: -4.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -73.512105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.512105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.512105 (E_RNA)
where:
Base-Base interactions energy: -34.889
where: short stacking energy: -26.034
Base-Backbone interact. energy: -0.327
local terms energy: -38.296598
where:
bonds (distance) C4'-P energy: -10.737
bonds (distance) P-C4' energy: -12.226
flat angles C4'-P-C4' energy: -12.182
flat angles P-C4'-P energy: -5.772
tors. eta vs tors. theta energy: 2.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -219.237647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.237647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.237647 (E_RNA)
where:
Base-Base interactions energy: -138.432
where: short stacking energy: -69.177
Base-Backbone interact. energy: -0.019
local terms energy: -80.786852
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -11.759
tors. eta vs tors. theta energy: -21.251
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: 2, replica: 2
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -187.622700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.622700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.622700 (E_RNA)
where:
Base-Base interactions energy: -118.123
where: short stacking energy: -50.949
Base-Backbone interact. energy: -0.140
local terms energy: -69.359900
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -13.779
flat angles C4'-P-C4' energy: -16.090
flat angles P-C4'-P energy: -11.936
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: 3, replica: 9
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -190.959677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.959677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.959677 (E_RNA)
where:
Base-Base interactions energy: -125.781
where: short stacking energy: -52.483
Base-Backbone interact. energy: 0.654
local terms energy: -65.832605
where:
bonds (distance) C4'-P energy: -11.792
bonds (distance) P-C4' energy: -14.795
flat angles C4'-P-C4' energy: -14.757
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -14.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -166.388835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.388835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.388835 (E_RNA)
where:
Base-Base interactions energy: -107.104
where: short stacking energy: -42.374
Base-Backbone interact. energy: -0.740
local terms energy: -58.545075
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -12.767
flat angles P-C4'-P energy: -6.372
tors. eta vs tors. theta energy: -11.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -168.127297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.127297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.127297 (E_RNA)
where:
Base-Base interactions energy: -110.955
where: short stacking energy: -62.550
Base-Backbone interact. energy: -0.001
local terms energy: -57.170637
where:
bonds (distance) C4'-P energy: -9.412
bonds (distance) P-C4' energy: -13.658
flat angles C4'-P-C4' energy: -17.082
flat angles P-C4'-P energy: -0.959
tors. eta vs tors. theta energy: -16.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -161.265236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.265236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.265236 (E_RNA)
where:
Base-Base interactions energy: -103.393
where: short stacking energy: -47.523
Base-Backbone interact. energy: -0.122
local terms energy: -57.749444
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -11.488
flat angles P-C4'-P energy: -7.205
tors. eta vs tors. theta energy: -8.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -86.891423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.891423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.891423 (E_RNA)
where:
Base-Base interactions energy: -39.602
where: short stacking energy: -27.652
Base-Backbone interact. energy: -0.026
local terms energy: -47.263995
where:
bonds (distance) C4'-P energy: -13.843
bonds (distance) P-C4' energy: -15.108
flat angles C4'-P-C4' energy: -12.348
flat angles P-C4'-P energy: -6.425
tors. eta vs tors. theta energy: 0.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -89.146024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.146024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.146024 (E_RNA)
where:
Base-Base interactions energy: -34.840
where: short stacking energy: -26.491
Base-Backbone interact. energy: -0.592
local terms energy: -53.714379
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -13.410
flat angles C4'-P-C4' energy: -15.910
flat angles P-C4'-P energy: -5.051
tors. eta vs tors. theta energy: -2.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -81.745368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.745368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.745368 (E_RNA)
where:
Base-Base interactions energy: -39.462
where: short stacking energy: -37.820
Base-Backbone interact. energy: -1.447
local terms energy: -40.836305
where:
bonds (distance) C4'-P energy: -11.879
bonds (distance) P-C4' energy: -10.654
flat angles C4'-P-C4' energy: -11.088
flat angles P-C4'-P energy: -6.578
tors. eta vs tors. theta energy: -0.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -82.823216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.823216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.823216 (E_RNA)
where:
Base-Base interactions energy: -34.438
where: short stacking energy: -17.175
Base-Backbone interact. energy: -0.308
local terms energy: -48.077406
where:
bonds (distance) C4'-P energy: -14.300
bonds (distance) P-C4' energy: -14.286
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -5.789
tors. eta vs tors. theta energy: 2.444
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: 1, replica: 5
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -220.512679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.512679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.512679 (E_RNA)
where:
Base-Base interactions energy: -148.232
where: short stacking energy: -69.757
Base-Backbone interact. energy: -0.246
local terms energy: -72.034652
where:
bonds (distance) C4'-P energy: -11.469
bonds (distance) P-C4' energy: -13.489
flat angles C4'-P-C4' energy: -14.745
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: -21.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -198.517263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.517263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.517263 (E_RNA)
where:
Base-Base interactions energy: -129.652
where: short stacking energy: -56.376
Base-Backbone interact. energy: -0.067
local terms energy: -68.798698
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -15.238
flat angles P-C4'-P energy: -9.761
tors. eta vs tors. theta energy: -12.685
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: 9
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -189.698862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.698862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.698862 (E_RNA)
where:
Base-Base interactions energy: -123.901
where: short stacking energy: -51.406
Base-Backbone interact. energy: -0.145
local terms energy: -65.653093
where:
bonds (distance) C4'-P energy: -17.356
bonds (distance) P-C4' energy: -14.257
flat angles C4'-P-C4' energy: -12.577
flat angles P-C4'-P energy: -9.023
tors. eta vs tors. theta energy: -12.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -182.229385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.229385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.229385 (E_RNA)
where:
Base-Base interactions energy: -121.417
where: short stacking energy: -53.113
Base-Backbone interact. energy: -0.212
local terms energy: -60.600454
where:
bonds (distance) C4'-P energy: -10.951
bonds (distance) P-C4' energy: -12.509
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: -10.629
tors. eta vs tors. theta energy: -11.968
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: 5, replica: 7
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -165.336747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.336747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.336747 (E_RNA)
where:
Base-Base interactions energy: -99.885
where: short stacking energy: -51.914
Base-Backbone interact. energy: -0.103
local terms energy: -65.348561
where:
bonds (distance) C4'-P energy: -15.759
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -12.173
flat angles P-C4'-P energy: -8.027
tors. eta vs tors. theta energy: -12.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -134.951899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.951899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.951899 (E_RNA)
where:
Base-Base interactions energy: -78.823
where: short stacking energy: -38.515
Base-Backbone interact. energy: -0.151
local terms energy: -55.978171
where:
bonds (distance) C4'-P energy: -13.467
bonds (distance) P-C4' energy: -13.837
flat angles C4'-P-C4' energy: -11.911
flat angles P-C4'-P energy: -9.231
tors. eta vs tors. theta energy: -7.532
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: 6
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -128.129159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.129159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.129159 (E_RNA)
where:
Base-Base interactions energy: -75.836
where: short stacking energy: -35.884
Base-Backbone interact. energy: -0.069
local terms energy: -52.224338
where:
bonds (distance) C4'-P energy: -13.361
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -6.059
tors. eta vs tors. theta energy: -3.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -78.049149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.049149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.049149 (E_RNA)
where:
Base-Base interactions energy: -27.980
where: short stacking energy: -27.110
Base-Backbone interact. energy: -0.053
local terms energy: -50.015594
where:
bonds (distance) C4'-P energy: -10.923
bonds (distance) P-C4' energy: -13.364
flat angles C4'-P-C4' energy: -13.129
flat angles P-C4'-P energy: -11.718
tors. eta vs tors. theta energy: -0.881
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: 3
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -83.241893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.241893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.241893 (E_RNA)
where:
Base-Base interactions energy: -39.380
where: short stacking energy: -36.933
Base-Backbone interact. energy: -0.347
local terms energy: -43.514758
where:
bonds (distance) C4'-P energy: -12.649
bonds (distance) P-C4' energy: -14.416
flat angles C4'-P-C4' energy: -11.000
flat angles P-C4'-P energy: -2.182
tors. eta vs tors. theta energy: -3.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -84.027759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.027759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.027759 (E_RNA)
where:
Base-Base interactions energy: -27.334
where: short stacking energy: -23.753
Base-Backbone interact. energy: -0.498
local terms energy: -56.195573
where:
bonds (distance) C4'-P energy: -17.364
bonds (distance) P-C4' energy: -13.563
flat angles C4'-P-C4' energy: -9.803
flat angles P-C4'-P energy: -10.977
tors. eta vs tors. theta energy: -4.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -203.890748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.890748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.890748 (E_RNA)
where:
Base-Base interactions energy: -128.938
where: short stacking energy: -70.008
Base-Backbone interact. energy: -0.004
local terms energy: -74.949234
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -9.346
flat angles C4'-P-C4' energy: -17.359
flat angles P-C4'-P energy: -14.107
tors. eta vs tors. theta energy: -18.996
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: 9
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -193.743730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.743730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.743730 (E_RNA)
where:
Base-Base interactions energy: -118.305
where: short stacking energy: -59.394
Base-Backbone interact. energy: -0.003
local terms energy: -75.435659
where:
bonds (distance) C4'-P energy: -17.058
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -11.821
tors. eta vs tors. theta energy: -16.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -191.402868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.402868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.402868 (E_RNA)
where:
Base-Base interactions energy: -119.404
where: short stacking energy: -57.532
Base-Backbone interact. energy: -0.031
local terms energy: -71.967401
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -15.320
flat angles P-C4'-P energy: -8.265
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: 4, replica: 7
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -163.480159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.480159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.480159 (E_RNA)
where:
Base-Base interactions energy: -99.619
where: short stacking energy: -55.996
Base-Backbone interact. energy: -0.044
local terms energy: -63.817374
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -12.327
flat angles P-C4'-P energy: -9.241
tors. eta vs tors. theta energy: -12.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -182.638310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.638310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.638310 (E_RNA)
where:
Base-Base interactions energy: -121.289
where: short stacking energy: -56.362
Base-Backbone interact. energy: -0.020
local terms energy: -61.328460
where:
bonds (distance) C4'-P energy: -11.057
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -14.276
flat angles P-C4'-P energy: -6.129
tors. eta vs tors. theta energy: -14.222
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: 8
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -143.901086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.901086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.901086 (E_RNA)
where:
Base-Base interactions energy: -82.557
where: short stacking energy: -45.841
Base-Backbone interact. energy: -0.144
local terms energy: -61.199336
where:
bonds (distance) C4'-P energy: -13.309
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -14.865
flat angles P-C4'-P energy: -6.989
tors. eta vs tors. theta energy: -11.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -95.121302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.121302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.121302 (E_RNA)
where:
Base-Base interactions energy: -43.737
where: short stacking energy: -29.644
Base-Backbone interact. energy: -0.502
local terms energy: -50.882163
where:
bonds (distance) C4'-P energy: -11.802
bonds (distance) P-C4' energy: -9.784
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -12.610
tors. eta vs tors. theta energy: -2.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -96.315073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.315073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.315073 (E_RNA)
where:
Base-Base interactions energy: -29.060
where: short stacking energy: -26.961
Base-Backbone interact. energy: -0.100
local terms energy: -67.155079
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -16.574
flat angles C4'-P-C4' energy: -14.639
flat angles P-C4'-P energy: -12.358
tors. eta vs tors. theta energy: -8.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -86.520423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.520423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.520423 (E_RNA)
where:
Base-Base interactions energy: -34.802
where: short stacking energy: -34.802
Base-Backbone interact. energy: -0.134
local terms energy: -51.584166
where:
bonds (distance) C4'-P energy: -14.319
bonds (distance) P-C4' energy: -10.467
flat angles C4'-P-C4' energy: -11.862
flat angles P-C4'-P energy: -9.414
tors. eta vs tors. theta energy: -5.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -84.617036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.617036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.617036 (E_RNA)
where:
Base-Base interactions energy: -31.410
where: short stacking energy: -14.151
Base-Backbone interact. energy: -0.629
local terms energy: -52.578101
where:
bonds (distance) C4'-P energy: -10.902
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -15.559
flat angles P-C4'-P energy: -8.471
tors. eta vs tors. theta energy: -3.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -207.644601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.644601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.644601 (E_RNA)
where:
Base-Base interactions energy: -133.230
where: short stacking energy: -64.941
Base-Backbone interact. energy: -0.512
local terms energy: -73.902765
where:
bonds (distance) C4'-P energy: -15.435
bonds (distance) P-C4' energy: -16.964
flat angles C4'-P-C4' energy: -15.076
flat angles P-C4'-P energy: -5.131
tors. eta vs tors. theta energy: -21.297
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: 166
Temperature: 0.950000
Total energy: -191.189289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.189289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.189289 (E_RNA)
where:
Base-Base interactions energy: -119.975
where: short stacking energy: -58.684
Base-Backbone interact. energy: -0.022
local terms energy: -71.192499
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -15.363
flat angles C4'-P-C4' energy: -16.038
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -15.605
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: 3, replica: 2
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -190.005687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.005687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.005687 (E_RNA)
where:
Base-Base interactions energy: -123.464
where: short stacking energy: -55.310
Base-Backbone interact. energy: -0.071
local terms energy: -66.471073
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -16.490
flat angles P-C4'-P energy: -6.934
tors. eta vs tors. theta energy: -16.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -192.057916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.057916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.057916 (E_RNA)
where:
Base-Base interactions energy: -124.731
where: short stacking energy: -47.493
Base-Backbone interact. energy: -0.406
local terms energy: -66.921321
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -15.949
flat angles P-C4'-P energy: -10.913
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: 5, replica: 4
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -169.143313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.143313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.143313 (E_RNA)
where:
Base-Base interactions energy: -99.440
where: short stacking energy: -53.214
Base-Backbone interact. energy: -0.219
local terms energy: -69.484347
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -9.866
tors. eta vs tors. theta energy: -12.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -123.263301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.263301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.263301 (E_RNA)
where:
Base-Base interactions energy: -63.470
where: short stacking energy: -23.971
Base-Backbone interact. energy: -0.325
local terms energy: -59.468885
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -13.364
flat angles P-C4'-P energy: -10.997
tors. eta vs tors. theta energy: -2.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -86.648975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.648975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.648975 (E_RNA)
where:
Base-Base interactions energy: -36.093
where: short stacking energy: -32.463
Base-Backbone interact. energy: -0.052
local terms energy: -50.503965
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -12.267
flat angles C4'-P-C4' energy: -17.771
flat angles P-C4'-P energy: -2.339
tors. eta vs tors. theta energy: -4.563
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: 8, replica: 6
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -84.497545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.497545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.497545 (E_RNA)
where:
Base-Base interactions energy: -36.133
where: short stacking energy: -36.129
Base-Backbone interact. energy: -0.017
local terms energy: -48.348021
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -9.149
flat angles C4'-P-C4' energy: -11.350
flat angles P-C4'-P energy: -9.055
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: 9, replica: 1
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -94.534682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.534682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.534682 (E_RNA)
where:
Base-Base interactions energy: -36.001
where: short stacking energy: -30.174
Base-Backbone interact. energy: -0.085
local terms energy: -58.448760
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -14.435
flat angles P-C4'-P energy: -11.326
tors. eta vs tors. theta energy: -0.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -85.796951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.796951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.796951 (E_RNA)
where:
Base-Base interactions energy: -34.177
where: short stacking energy: -30.547
Base-Backbone interact. energy: -0.240
local terms energy: -51.380838
where:
bonds (distance) C4'-P energy: -13.338
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -11.259
flat angles P-C4'-P energy: -8.694
tors. eta vs tors. theta energy: -4.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -212.517807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.517807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.517807 (E_RNA)
where:
Base-Base interactions energy: -136.287
where: short stacking energy: -71.528
Base-Backbone interact. energy: 1.236
local terms energy: -77.467643
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -16.631
flat angles C4'-P-C4' energy: -17.327
flat angles P-C4'-P energy: -8.934
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: 2, replica: 9
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -187.601387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.601387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.601387 (E_RNA)
where:
Base-Base interactions energy: -125.486
where: short stacking energy: -56.294
Base-Backbone interact. energy: -0.237
local terms energy: -61.878104
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -12.288
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -11.706
tors. eta vs tors. theta energy: -10.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -201.583117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.583117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.583117 (E_RNA)
where:
Base-Base interactions energy: -127.271
where: short stacking energy: -54.410
Base-Backbone interact. energy: -0.004
local terms energy: -74.308262
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -14.315
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: -15.871
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: 4, replica: 7
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -190.355252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.355252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.355252 (E_RNA)
where:
Base-Base interactions energy: -126.237
where: short stacking energy: -54.509
Base-Backbone interact. energy: -0.002
local terms energy: -64.116361
where:
bonds (distance) C4'-P energy: -16.818
bonds (distance) P-C4' energy: -10.459
flat angles C4'-P-C4' energy: -10.173
flat angles P-C4'-P energy: -9.682
tors. eta vs tors. theta energy: -16.984
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: 5, replica: 4
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -164.478357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.478357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.478357 (E_RNA)
where:
Base-Base interactions energy: -100.656
where: short stacking energy: -43.196
Base-Backbone interact. energy: -0.250
local terms energy: -63.572332
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -14.366
flat angles C4'-P-C4' energy: -14.413
flat angles P-C4'-P energy: -11.930
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: 3
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -99.046692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.046692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.046692 (E_RNA)
where:
Base-Base interactions energy: -53.856
where: short stacking energy: -29.667
Base-Backbone interact. energy: -0.355
local terms energy: -44.836023
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -12.023
flat angles C4'-P-C4' energy: -12.395
flat angles P-C4'-P energy: -6.979
tors. eta vs tors. theta energy: 1.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -118.644674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.644674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.644674 (E_RNA)
where:
Base-Base interactions energy: -58.488
where: short stacking energy: -35.051
Base-Backbone interact. energy: -1.062
local terms energy: -59.094985
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -15.920
flat angles P-C4'-P energy: -13.055
tors. eta vs tors. theta energy: -2.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -90.337715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.337715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.337715 (E_RNA)
where:
Base-Base interactions energy: -37.115
where: short stacking energy: -30.785
Base-Backbone interact. energy: -0.138
local terms energy: -53.084220
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -16.343
flat angles C4'-P-C4' energy: -11.960
flat angles P-C4'-P energy: -7.328
tors. eta vs tors. theta energy: -4.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -84.164346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.164346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.164346 (E_RNA)
where:
Base-Base interactions energy: -24.003
where: short stacking energy: -22.141
Base-Backbone interact. energy: -0.013
local terms energy: -60.147638
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -13.937
flat angles C4'-P-C4' energy: -15.041
flat angles P-C4'-P energy: -9.695
tors. eta vs tors. theta energy: -5.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -72.021798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.021798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.021798 (E_RNA)
where:
Base-Base interactions energy: -25.158
where: short stacking energy: -25.158
Base-Backbone interact. energy: -0.005
local terms energy: -46.858505
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -9.751
flat angles C4'-P-C4' energy: -9.860
flat angles P-C4'-P energy: -6.307
tors. eta vs tors. theta energy: -7.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -214.096874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.096874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.096874 (E_RNA)
where:
Base-Base interactions energy: -138.831
where: short stacking energy: -67.948
Base-Backbone interact. energy: -0.068
local terms energy: -75.197270
where:
bonds (distance) C4'-P energy: -12.311
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -11.003
tors. eta vs tors. theta energy: -20.278
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: 9
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -190.155027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.155027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.155027 (E_RNA)
where:
Base-Base interactions energy: -116.513
where: short stacking energy: -56.086
Base-Backbone interact. energy: -0.621
local terms energy: -73.021668
where:
bonds (distance) C4'-P energy: -13.842
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -15.117
flat angles P-C4'-P energy: -10.007
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: 7
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -195.913762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.913762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.913762 (E_RNA)
where:
Base-Base interactions energy: -126.444
where: short stacking energy: -52.505
Base-Backbone interact. energy: 0.814
local terms energy: -70.284405
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -10.154
flat angles P-C4'-P energy: -12.258
tors. eta vs tors. theta energy: -16.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -189.052998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.052998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.052998 (E_RNA)
where:
Base-Base interactions energy: -123.683
where: short stacking energy: -67.614
Base-Backbone interact. energy: -0.010
local terms energy: -65.360107
where:
bonds (distance) C4'-P energy: -12.156
bonds (distance) P-C4' energy: -10.994
flat angles C4'-P-C4' energy: -15.425
flat angles P-C4'-P energy: -9.207
tors. eta vs tors. theta energy: -17.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -176.805246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.805246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.805246 (E_RNA)
where:
Base-Base interactions energy: -106.443
where: short stacking energy: -59.714
Base-Backbone interact. energy: -0.009
local terms energy: -70.352597
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -14.494
flat angles C4'-P-C4' energy: -13.672
flat angles P-C4'-P energy: -11.030
tors. eta vs tors. theta energy: -15.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -99.727379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.727379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.727379 (E_RNA)
where:
Base-Base interactions energy: -40.800
where: short stacking energy: -37.715
Base-Backbone interact. energy: -0.207
local terms energy: -58.720161
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -16.932
flat angles C4'-P-C4' energy: -8.842
flat angles P-C4'-P energy: -12.360
tors. eta vs tors. theta energy: -7.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -99.612708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.612708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.612708 (E_RNA)
where:
Base-Base interactions energy: -53.344
where: short stacking energy: -41.667
Base-Backbone interact. energy: -0.247
local terms energy: -46.021464
where:
bonds (distance) C4'-P energy: -11.631
bonds (distance) P-C4' energy: -10.818
flat angles C4'-P-C4' energy: -9.709
flat angles P-C4'-P energy: -5.918
tors. eta vs tors. theta energy: -7.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -128.565715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.565715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.565715 (E_RNA)
where:
Base-Base interactions energy: -77.556
where: short stacking energy: -44.172
Base-Backbone interact. energy: -0.070
local terms energy: -50.939644
where:
bonds (distance) C4'-P energy: -11.233
bonds (distance) P-C4' energy: -7.712
flat angles C4'-P-C4' energy: -13.738
flat angles P-C4'-P energy: -10.415
tors. eta vs tors. theta energy: -7.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -78.177981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.177981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.177981 (E_RNA)
where:
Base-Base interactions energy: -30.281
where: short stacking energy: -21.894
Base-Backbone interact. energy: -0.365
local terms energy: -47.531394
where:
bonds (distance) C4'-P energy: -12.642
bonds (distance) P-C4' energy: -13.179
flat angles C4'-P-C4' energy: -11.253
flat angles P-C4'-P energy: -8.024
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: 10, replica: 1
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -78.958470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.958470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.958470 (E_RNA)
where:
Base-Base interactions energy: -27.493
where: short stacking energy: -27.493
Base-Backbone interact. energy: -0.252
local terms energy: -51.214054
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -10.060
flat angles P-C4'-P energy: -8.281
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: 1, replica: 5
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -209.800630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.800630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.800630 (E_RNA)
where:
Base-Base interactions energy: -133.957
where: short stacking energy: -66.801
Base-Backbone interact. energy: -0.016
local terms energy: -75.827689
where:
bonds (distance) C4'-P energy: -13.582
bonds (distance) P-C4' energy: -12.792
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -12.139
tors. eta vs tors. theta energy: -20.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -198.039173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.039173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.039173 (E_RNA)
where:
Base-Base interactions energy: -126.644
where: short stacking energy: -64.954
Base-Backbone interact. energy: -0.280
local terms energy: -71.114323
where:
bonds (distance) C4'-P energy: -17.701
bonds (distance) P-C4' energy: -12.087
flat angles C4'-P-C4' energy: -15.298
flat angles P-C4'-P energy: -7.883
tors. eta vs tors. theta energy: -18.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -192.642784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.642784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.642784 (E_RNA)
where:
Base-Base interactions energy: -126.677
where: short stacking energy: -50.529
Base-Backbone interact. energy: -0.072
local terms energy: -65.893469
where:
bonds (distance) C4'-P energy: -13.425
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -15.038
flat angles P-C4'-P energy: -10.915
tors. eta vs tors. theta energy: -9.838
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: 4
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -198.455669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.455669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.455669 (E_RNA)
where:
Base-Base interactions energy: -128.252
where: short stacking energy: -71.911
Base-Backbone interact. energy: -0.046
local terms energy: -70.157241
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -9.702
flat angles C4'-P-C4' energy: -16.025
flat angles P-C4'-P energy: -10.542
tors. eta vs tors. theta energy: -18.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -157.096231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.096231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.096231 (E_RNA)
where:
Base-Base interactions energy: -96.851
where: short stacking energy: -47.418
Base-Backbone interact. energy: -0.663
local terms energy: -59.581819
where:
bonds (distance) C4'-P energy: -13.379
bonds (distance) P-C4' energy: -9.162
flat angles C4'-P-C4' energy: -16.708
flat angles P-C4'-P energy: -11.781
tors. eta vs tors. theta energy: -8.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -115.342776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.342776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.342776 (E_RNA)
where:
Base-Base interactions energy: -62.114
where: short stacking energy: -45.374
Base-Backbone interact. energy: 0.561
local terms energy: -53.790268
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -11.671
flat angles C4'-P-C4' energy: -12.514
flat angles P-C4'-P energy: -12.363
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: 7, replica: 3
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -101.187932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.187932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.187932 (E_RNA)
where:
Base-Base interactions energy: -45.888
where: short stacking energy: -37.369
Base-Backbone interact. energy: -0.247
local terms energy: -55.052440
where:
bonds (distance) C4'-P energy: -12.280
bonds (distance) P-C4' energy: -17.284
flat angles C4'-P-C4' energy: -12.078
flat angles P-C4'-P energy: -7.829
tors. eta vs tors. theta energy: -5.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -91.416700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.416700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.416700 (E_RNA)
where:
Base-Base interactions energy: -34.426
where: short stacking energy: -34.426
Base-Backbone interact. energy: -0.201
local terms energy: -56.790389
where:
bonds (distance) C4'-P energy: -11.532
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -11.357
flat angles P-C4'-P energy: -12.466
tors. eta vs tors. theta energy: -5.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -88.566336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.566336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.566336 (E_RNA)
where:
Base-Base interactions energy: -36.831
where: short stacking energy: -25.721
Base-Backbone interact. energy: -0.039
local terms energy: -51.696174
where:
bonds (distance) C4'-P energy: -17.916
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -14.169
flat angles P-C4'-P energy: -5.069
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: 10, replica: 1
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -74.431235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.431235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.431235 (E_RNA)
where:
Base-Base interactions energy: -36.174
where: short stacking energy: -33.955
Base-Backbone interact. energy: -0.058
local terms energy: -38.198544
where:
bonds (distance) C4'-P energy: -7.727
bonds (distance) P-C4' energy: -5.600
flat angles C4'-P-C4' energy: -8.997
flat angles P-C4'-P energy: -10.696
tors. eta vs tors. theta energy: -5.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -208.591053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.591053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.591053 (E_RNA)
where:
Base-Base interactions energy: -136.121
where: short stacking energy: -58.891
Base-Backbone interact. energy: -0.116
local terms energy: -72.353813
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -13.275
flat angles C4'-P-C4' energy: -17.022
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -15.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -184.991441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.991441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.991441 (E_RNA)
where:
Base-Base interactions energy: -116.040
where: short stacking energy: -57.813
Base-Backbone interact. energy: -0.589
local terms energy: -68.362230
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -11.541
flat angles C4'-P-C4' energy: -16.663
flat angles P-C4'-P energy: -6.361
tors. eta vs tors. theta energy: -17.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -194.656073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.656073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.656073 (E_RNA)
where:
Base-Base interactions energy: -122.585
where: short stacking energy: -53.085
Base-Backbone interact. energy: 0.284
local terms energy: -72.355544
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -11.764
tors. eta vs tors. theta energy: -14.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -177.557257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.557257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.557257 (E_RNA)
where:
Base-Base interactions energy: -113.861
where: short stacking energy: -58.585
Base-Backbone interact. energy: -0.115
local terms energy: -63.580363
where:
bonds (distance) C4'-P energy: -12.766
bonds (distance) P-C4' energy: -13.373
flat angles C4'-P-C4' energy: -13.865
flat angles P-C4'-P energy: -8.088
tors. eta vs tors. theta energy: -15.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -145.088433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.088433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.088433 (E_RNA)
where:
Base-Base interactions energy: -83.892
where: short stacking energy: -57.696
Base-Backbone interact. energy: -0.000
local terms energy: -61.196108
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -12.476
flat angles P-C4'-P energy: -6.889
tors. eta vs tors. theta energy: -12.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -102.112814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.112814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.112814 (E_RNA)
where:
Base-Base interactions energy: -48.353
where: short stacking energy: -35.853
Base-Backbone interact. energy: -0.351
local terms energy: -53.409265
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -13.566
flat angles P-C4'-P energy: -10.102
tors. eta vs tors. theta energy: -2.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -95.153572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.153572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.153572 (E_RNA)
where:
Base-Base interactions energy: -45.305
where: short stacking energy: -33.216
Base-Backbone interact. energy: -0.006
local terms energy: -49.842266
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -9.132
flat angles P-C4'-P energy: -6.868
tors. eta vs tors. theta energy: -1.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -93.673222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.673222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.673222 (E_RNA)
where:
Base-Base interactions energy: -40.775
where: short stacking energy: -25.708
Base-Backbone interact. energy: -0.047
local terms energy: -52.851358
where:
bonds (distance) C4'-P energy: -16.571
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -9.186
flat angles P-C4'-P energy: -7.511
tors. eta vs tors. theta energy: -4.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -91.918069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.918069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.918069 (E_RNA)
where:
Base-Base interactions energy: -38.416
where: short stacking energy: -27.167
Base-Backbone interact. energy: -0.064
local terms energy: -53.438174
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -16.749
flat angles C4'-P-C4' energy: -10.806
flat angles P-C4'-P energy: -7.201
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: 10, replica: 10
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -72.196852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.196852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.196852 (E_RNA)
where:
Base-Base interactions energy: -25.517
where: short stacking energy: -11.638
Base-Backbone interact. energy: -0.042
local terms energy: -46.637414
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -12.974
flat angles P-C4'-P energy: -2.227
tors. eta vs tors. theta energy: -1.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -218.611069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.611069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.611069 (E_RNA)
where:
Base-Base interactions energy: -132.791
where: short stacking energy: -69.355
Base-Backbone interact. energy: 0.285
local terms energy: -86.105384
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -16.223
flat angles P-C4'-P energy: -14.544
tors. eta vs tors. theta energy: -23.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -196.128730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.128730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.128730 (E_RNA)
where:
Base-Base interactions energy: -125.358
where: short stacking energy: -62.109
Base-Backbone interact. energy: -0.003
local terms energy: -70.767565
where:
bonds (distance) C4'-P energy: -15.418
bonds (distance) P-C4' energy: -15.775
flat angles C4'-P-C4' energy: -16.240
flat angles P-C4'-P energy: -6.577
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: 3, replica: 9
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -183.820777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.820777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.820777 (E_RNA)
where:
Base-Base interactions energy: -114.211
where: short stacking energy: -60.871
Base-Backbone interact. energy: -0.087
local terms energy: -69.523359
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -15.934
flat angles C4'-P-C4' energy: -13.599
flat angles P-C4'-P energy: -10.260
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: 4, replica: 2
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -194.021592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.021592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.021592 (E_RNA)
where:
Base-Base interactions energy: -125.319
where: short stacking energy: -68.827
Base-Backbone interact. energy: -0.687
local terms energy: -68.015387
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -14.276
flat angles P-C4'-P energy: -8.019
tors. eta vs tors. theta energy: -14.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -179.774170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.774170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.774170 (E_RNA)
where:
Base-Base interactions energy: -117.340
where: short stacking energy: -49.253
Base-Backbone interact. energy: -0.171
local terms energy: -62.262501
where:
bonds (distance) C4'-P energy: -14.743
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -14.802
flat angles P-C4'-P energy: -3.705
tors. eta vs tors. theta energy: -12.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -108.351407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.351407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.351407 (E_RNA)
where:
Base-Base interactions energy: -59.417
where: short stacking energy: -49.128
Base-Backbone interact. energy: -0.127
local terms energy: -48.807653
where:
bonds (distance) C4'-P energy: -8.758
bonds (distance) P-C4' energy: -11.661
flat angles C4'-P-C4' energy: -10.016
flat angles P-C4'-P energy: -11.384
tors. eta vs tors. theta energy: -6.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -88.954216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.954216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.954216 (E_RNA)
where:
Base-Base interactions energy: -31.149
where: short stacking energy: -29.229
Base-Backbone interact. energy: -0.018
local terms energy: -57.787245
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -9.339
flat angles P-C4'-P energy: -12.339
tors. eta vs tors. theta energy: -3.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -100.142443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.142443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.142443 (E_RNA)
where:
Base-Base interactions energy: -54.029
where: short stacking energy: -46.967
Base-Backbone interact. energy: -0.113
local terms energy: -46.001089
where:
bonds (distance) C4'-P energy: -10.337
bonds (distance) P-C4' energy: -10.900
flat angles C4'-P-C4' energy: -10.019
flat angles P-C4'-P energy: -8.080
tors. eta vs tors. theta energy: -6.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -81.899679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.899679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.899679 (E_RNA)
where:
Base-Base interactions energy: -35.703
where: short stacking energy: -28.782
Base-Backbone interact. energy: -0.236
local terms energy: -45.960326
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -10.704
flat angles P-C4'-P energy: -7.573
tors. eta vs tors. theta energy: 0.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -85.291398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.291398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.291398 (E_RNA)
where:
Base-Base interactions energy: -37.756
where: short stacking energy: -37.756
Base-Backbone interact. energy: -0.103
local terms energy: -47.432716
where:
bonds (distance) C4'-P energy: -11.301
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -10.741
flat angles P-C4'-P energy: -7.230
tors. eta vs tors. theta energy: -5.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -218.000560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.000560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.000560 (E_RNA)
where:
Base-Base interactions energy: -143.906
where: short stacking energy: -75.385
Base-Backbone interact. energy: -0.299
local terms energy: -73.795124
where:
bonds (distance) C4'-P energy: -8.849
bonds (distance) P-C4' energy: -15.553
flat angles C4'-P-C4' energy: -16.714
flat angles P-C4'-P energy: -12.815
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: 2, replica: 4
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -200.462169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.462169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.462169 (E_RNA)
where:
Base-Base interactions energy: -129.509
where: short stacking energy: -64.504
Base-Backbone interact. energy: -0.003
local terms energy: -70.949422
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -16.602
flat angles P-C4'-P energy: -11.390
tors. eta vs tors. theta energy: -17.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -194.074471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.074471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.074471 (E_RNA)
where:
Base-Base interactions energy: -134.141
where: short stacking energy: -62.462
Base-Backbone interact. energy: -0.020
local terms energy: -59.913877
where:
bonds (distance) C4'-P energy: -11.052
bonds (distance) P-C4' energy: -13.119
flat angles C4'-P-C4' energy: -13.978
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: -12.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -177.556392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.556392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.556392 (E_RNA)
where:
Base-Base interactions energy: -112.930
where: short stacking energy: -50.900
Base-Backbone interact. energy: 0.166
local terms energy: -64.792073
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -11.735
flat angles C4'-P-C4' energy: -11.664
flat angles P-C4'-P energy: -12.050
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: 5, replica: 7
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -158.779978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.779978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.779978 (E_RNA)
where:
Base-Base interactions energy: -92.069
where: short stacking energy: -47.808
Base-Backbone interact. energy: -0.027
local terms energy: -66.684717
where:
bonds (distance) C4'-P energy: -14.161
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -11.874
tors. eta vs tors. theta energy: -9.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -89.302612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.302612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.302612 (E_RNA)
where:
Base-Base interactions energy: -36.513
where: short stacking energy: -27.748
Base-Backbone interact. energy: -0.096
local terms energy: -52.693667
where:
bonds (distance) C4'-P energy: -15.468
bonds (distance) P-C4' energy: -11.564
flat angles C4'-P-C4' energy: -11.974
flat angles P-C4'-P energy: -9.967
tors. eta vs tors. theta energy: -3.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -86.616762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.616762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.616762 (E_RNA)
where:
Base-Base interactions energy: -39.617
where: short stacking energy: -23.390
Base-Backbone interact. energy: -0.229
local terms energy: -46.771220
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -11.775
flat angles C4'-P-C4' energy: -12.131
flat angles P-C4'-P energy: -8.743
tors. eta vs tors. theta energy: -1.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -90.152496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.152496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.152496 (E_RNA)
where:
Base-Base interactions energy: -39.434
where: short stacking energy: -39.006
Base-Backbone interact. energy: -0.031
local terms energy: -50.687845
where:
bonds (distance) C4'-P energy: -11.093
bonds (distance) P-C4' energy: -13.541
flat angles C4'-P-C4' energy: -15.741
flat angles P-C4'-P energy: -5.401
tors. eta vs tors. theta energy: -4.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -84.527689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.527689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.527689 (E_RNA)
where:
Base-Base interactions energy: -36.526
where: short stacking energy: -33.147
Base-Backbone interact. energy: 0.304
local terms energy: -48.305615
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -11.778
flat angles P-C4'-P energy: -9.976
tors. eta vs tors. theta energy: 0.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -77.276215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.276215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.276215 (E_RNA)
where:
Base-Base interactions energy: -33.243
where: short stacking energy: -21.504
Base-Backbone interact. energy: -1.537
local terms energy: -42.496009
where:
bonds (distance) C4'-P energy: -15.057
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -12.413
flat angles P-C4'-P energy: -4.913
tors. eta vs tors. theta energy: 3.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -218.884645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.884645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.884645 (E_RNA)
where:
Base-Base interactions energy: -136.939
where: short stacking energy: -73.283
Base-Backbone interact. energy: -0.469
local terms energy: -81.476784
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -15.838
flat angles P-C4'-P energy: -10.711
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: 4
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -198.875212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.875212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.875212 (E_RNA)
where:
Base-Base interactions energy: -132.623
where: short stacking energy: -55.014
Base-Backbone interact. energy: -0.184
local terms energy: -66.068685
where:
bonds (distance) C4'-P energy: -11.123
bonds (distance) P-C4' energy: -15.994
flat angles C4'-P-C4' energy: -10.359
flat angles P-C4'-P energy: -11.414
tors. eta vs tors. theta energy: -17.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -178.396812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.396812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.396812 (E_RNA)
where:
Base-Base interactions energy: -107.830
where: short stacking energy: -57.984
Base-Backbone interact. energy: -0.022
local terms energy: -70.545298
where:
bonds (distance) C4'-P energy: -13.901
bonds (distance) P-C4' energy: -15.295
flat angles C4'-P-C4' energy: -14.753
flat angles P-C4'-P energy: -9.816
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: 4, replica: 7
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -160.824975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.824975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.824975 (E_RNA)
where:
Base-Base interactions energy: -100.326
where: short stacking energy: -46.553
Base-Backbone interact. energy: -0.099
local terms energy: -60.400616
where:
bonds (distance) C4'-P energy: -16.512
bonds (distance) P-C4' energy: -15.282
flat angles C4'-P-C4' energy: -11.685
flat angles P-C4'-P energy: -8.003
tors. eta vs tors. theta energy: -8.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -189.808253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.808253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.808253 (E_RNA)
where:
Base-Base interactions energy: -120.058
where: short stacking energy: -59.445
Base-Backbone interact. energy: -0.113
local terms energy: -69.637630
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -11.855
tors. eta vs tors. theta energy: -14.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -103.183279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.183279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.183279 (E_RNA)
where:
Base-Base interactions energy: -46.962
where: short stacking energy: -44.179
Base-Backbone interact. energy: -0.010
local terms energy: -56.211094
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -13.474
flat angles C4'-P-C4' energy: -11.078
flat angles P-C4'-P energy: -7.543
tors. eta vs tors. theta energy: -9.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -101.392822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.392822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.392822 (E_RNA)
where:
Base-Base interactions energy: -43.930
where: short stacking energy: -43.836
Base-Backbone interact. energy: -0.002
local terms energy: -57.460266
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -15.522
flat angles P-C4'-P energy: -6.130
tors. eta vs tors. theta energy: -7.794
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: 173
Temperature: 1.250000
Total energy: -97.431545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.431545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.431545 (E_RNA)
where:
Base-Base interactions energy: -39.432
where: short stacking energy: -36.770
Base-Backbone interact. energy: -0.186
local terms energy: -57.814070
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -10.305
flat angles C4'-P-C4' energy: -12.007
flat angles P-C4'-P energy: -9.707
tors. eta vs tors. theta energy: -9.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -80.655235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.655235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.655235 (E_RNA)
where:
Base-Base interactions energy: -25.930
where: short stacking energy: -25.643
Base-Backbone interact. energy: -0.206
local terms energy: -54.519332
where:
bonds (distance) C4'-P energy: -18.072
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -9.563
flat angles P-C4'-P energy: -8.626
tors. eta vs tors. theta energy: -2.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -84.118185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.118185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.118185 (E_RNA)
where:
Base-Base interactions energy: -38.121
where: short stacking energy: -20.179
Base-Backbone interact. energy: -0.054
local terms energy: -45.942426
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -7.800
flat angles P-C4'-P energy: -7.234
tors. eta vs tors. theta energy: -3.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -210.493658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.493658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.493658 (E_RNA)
where:
Base-Base interactions energy: -136.554
where: short stacking energy: -57.044
Base-Backbone interact. energy: -0.020
local terms energy: -73.919753
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -12.751
tors. eta vs tors. theta energy: -17.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -209.929186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.929186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.929186 (E_RNA)
where:
Base-Base interactions energy: -135.752
where: short stacking energy: -70.466
Base-Backbone interact. energy: -0.001
local terms energy: -74.175804
where:
bonds (distance) C4'-P energy: -15.118
bonds (distance) P-C4' energy: -16.298
flat angles C4'-P-C4' energy: -14.546
flat angles P-C4'-P energy: -7.696
tors. eta vs tors. theta energy: -20.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -179.916913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.916913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.916913 (E_RNA)
where:
Base-Base interactions energy: -110.571
where: short stacking energy: -59.172
Base-Backbone interact. energy: -0.015
local terms energy: -69.331345
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -15.581
flat angles P-C4'-P energy: -6.285
tors. eta vs tors. theta energy: -15.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -176.273133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.273133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.273133 (E_RNA)
where:
Base-Base interactions energy: -108.573
where: short stacking energy: -56.025
Base-Backbone interact. energy: -0.057
local terms energy: -67.643573
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -9.829
tors. eta vs tors. theta energy: -14.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -165.733283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.733283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.733283 (E_RNA)
where:
Base-Base interactions energy: -99.784
where: short stacking energy: -60.592
Base-Backbone interact. energy: -0.012
local terms energy: -65.938012
where:
bonds (distance) C4'-P energy: -11.978
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -15.091
flat angles P-C4'-P energy: -5.331
tors. eta vs tors. theta energy: -17.794
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: 8
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -100.187983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.187983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.187983 (E_RNA)
where:
Base-Base interactions energy: -46.850
where: short stacking energy: -46.850
Base-Backbone interact. energy: -0.300
local terms energy: -53.038401
where:
bonds (distance) C4'-P energy: -11.390
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -6.704
flat angles P-C4'-P energy: -11.007
tors. eta vs tors. theta energy: -8.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -126.837162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.837162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.837162 (E_RNA)
where:
Base-Base interactions energy: -66.825
where: short stacking energy: -41.967
Base-Backbone interact. energy: -0.025
local terms energy: -59.986827
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -13.164
flat angles C4'-P-C4' energy: -9.101
flat angles P-C4'-P energy: -10.264
tors. eta vs tors. theta energy: -11.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -88.313522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.313522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.313522 (E_RNA)
where:
Base-Base interactions energy: -39.896
where: short stacking energy: -24.124
Base-Backbone interact. energy: -0.226
local terms energy: -48.191986
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -13.565
flat angles C4'-P-C4' energy: -8.062
flat angles P-C4'-P energy: -11.944
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: 9, replica: 1
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -85.911301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.911301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.911301 (E_RNA)
where:
Base-Base interactions energy: -33.739
where: short stacking energy: -26.683
Base-Backbone interact. energy: -0.348
local terms energy: -51.823945
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -12.966
flat angles C4'-P-C4' energy: -9.371
flat angles P-C4'-P energy: -8.988
tors. eta vs tors. theta energy: -5.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -78.618367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.618367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.618367 (E_RNA)
where:
Base-Base interactions energy: -34.845
where: short stacking energy: -32.185
Base-Backbone interact. energy: 0.090
local terms energy: -43.863731
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -12.465
flat angles C4'-P-C4' energy: -9.773
flat angles P-C4'-P energy: 0.296
tors. eta vs tors. theta energy: -8.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -213.001299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.001299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.001299 (E_RNA)
where:
Base-Base interactions energy: -138.484
where: short stacking energy: -65.005
Base-Backbone interact. energy: -0.134
local terms energy: -74.382860
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -12.092
flat angles C4'-P-C4' energy: -18.137
flat angles P-C4'-P energy: -10.142
tors. eta vs tors. theta energy: -17.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -203.023776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.023776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.023776 (E_RNA)
where:
Base-Base interactions energy: -125.507
where: short stacking energy: -66.739
Base-Backbone interact. energy: -0.238
local terms energy: -77.279152
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -12.118
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -15.176
tors. eta vs tors. theta energy: -17.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -170.194094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.194094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.194094 (E_RNA)
where:
Base-Base interactions energy: -106.533
where: short stacking energy: -50.779
Base-Backbone interact. energy: -0.025
local terms energy: -63.635418
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -13.344
flat angles P-C4'-P energy: -4.596
tors. eta vs tors. theta energy: -14.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -181.838561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.838561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.838561 (E_RNA)
where:
Base-Base interactions energy: -111.205
where: short stacking energy: -44.441
Base-Backbone interact. energy: 0.013
local terms energy: -70.647026
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -15.177
flat angles C4'-P-C4' energy: -15.785
flat angles P-C4'-P energy: -12.614
tors. eta vs tors. theta energy: -11.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -154.244855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.244855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.244855 (E_RNA)
where:
Base-Base interactions energy: -97.883
where: short stacking energy: -44.643
Base-Backbone interact. energy: -0.002
local terms energy: -56.359498
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -13.280
flat angles C4'-P-C4' energy: -10.870
flat angles P-C4'-P energy: -8.384
tors. eta vs tors. theta energy: -8.310
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: 6, replica: 10
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -145.938697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.938697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.938697 (E_RNA)
where:
Base-Base interactions energy: -99.938
where: short stacking energy: -42.921
Base-Backbone interact. energy: -0.072
local terms energy: -45.928801
where:
bonds (distance) C4'-P energy: -10.128
bonds (distance) P-C4' energy: -9.727
flat angles C4'-P-C4' energy: -12.522
flat angles P-C4'-P energy: -6.356
tors. eta vs tors. theta energy: -7.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -91.749405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.749405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.749405 (E_RNA)
where:
Base-Base interactions energy: -35.641
where: short stacking energy: -31.731
Base-Backbone interact. energy: -0.097
local terms energy: -56.011261
where:
bonds (distance) C4'-P energy: -11.504
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -13.717
flat angles P-C4'-P energy: -8.602
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: 1
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -100.359222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.359222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.359222 (E_RNA)
where:
Base-Base interactions energy: -40.644
where: short stacking energy: -38.747
Base-Backbone interact. energy: 0.955
local terms energy: -60.670131
where:
bonds (distance) C4'-P energy: -12.307
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -15.694
flat angles P-C4'-P energy: -7.113
tors. eta vs tors. theta energy: -10.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -88.777872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.777872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.777872 (E_RNA)
where:
Base-Base interactions energy: -35.091
where: short stacking energy: -21.530
Base-Backbone interact. energy: 0.341
local terms energy: -54.027834
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -17.377
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -7.072
tors. eta vs tors. theta energy: -0.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -80.074691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.074691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.074691 (E_RNA)
where:
Base-Base interactions energy: -29.886
where: short stacking energy: -25.473
Base-Backbone interact. energy: 1.067
local terms energy: -51.255385
where:
bonds (distance) C4'-P energy: -10.729
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -14.692
flat angles P-C4'-P energy: -8.959
tors. eta vs tors. theta energy: -0.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -206.264607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.264607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.264607 (E_RNA)
where:
Base-Base interactions energy: -129.134
where: short stacking energy: -69.395
Base-Backbone interact. energy: -0.606
local terms energy: -76.524266
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -15.982
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: -18.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -202.186983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.186983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.186983 (E_RNA)
where:
Base-Base interactions energy: -137.287
where: short stacking energy: -63.935
Base-Backbone interact. energy: -0.064
local terms energy: -64.836534
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -14.906
flat angles P-C4'-P energy: -3.995
tors. eta vs tors. theta energy: -14.549
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: 9
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -185.879949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.879949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.879949 (E_RNA)
where:
Base-Base interactions energy: -122.207
where: short stacking energy: -53.594
Base-Backbone interact. energy: -0.086
local terms energy: -63.587491
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -12.936
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: -11.723
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: 7
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -181.955601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.955601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.955601 (E_RNA)
where:
Base-Base interactions energy: -121.762
where: short stacking energy: -54.142
Base-Backbone interact. energy: -0.109
local terms energy: -60.085138
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -12.386
flat angles C4'-P-C4' energy: -14.604
flat angles P-C4'-P energy: -6.505
tors. eta vs tors. theta energy: -12.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -154.051429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.051429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.051429 (E_RNA)
where:
Base-Base interactions energy: -92.243
where: short stacking energy: -57.949
Base-Backbone interact. energy: -0.058
local terms energy: -61.750856
where:
bonds (distance) C4'-P energy: -7.106
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: -13.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -148.535865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.535865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.535865 (E_RNA)
where:
Base-Base interactions energy: -89.675
where: short stacking energy: -49.175
Base-Backbone interact. energy: -0.026
local terms energy: -58.834410
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -13.203
flat angles C4'-P-C4' energy: -16.021
flat angles P-C4'-P energy: -4.871
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: 8
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -92.720558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.720558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.720558 (E_RNA)
where:
Base-Base interactions energy: -41.998
where: short stacking energy: -34.568
Base-Backbone interact. energy: -0.243
local terms energy: -50.479535
where:
bonds (distance) C4'-P energy: -11.631
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -11.927
flat angles P-C4'-P energy: -7.610
tors. eta vs tors. theta energy: -3.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -94.859688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.859688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.859688 (E_RNA)
where:
Base-Base interactions energy: -39.552
where: short stacking energy: -38.422
Base-Backbone interact. energy: -0.085
local terms energy: -55.223513
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -12.306
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: -11.464
tors. eta vs tors. theta energy: -1.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -89.552744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.552744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.552744 (E_RNA)
where:
Base-Base interactions energy: -33.371
where: short stacking energy: -33.371
Base-Backbone interact. energy: -0.139
local terms energy: -56.042295
where:
bonds (distance) C4'-P energy: -18.487
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -9.894
flat angles P-C4'-P energy: -4.597
tors. eta vs tors. theta energy: -4.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -76.318075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.318075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.318075 (E_RNA)
where:
Base-Base interactions energy: -26.541
where: short stacking energy: -25.234
Base-Backbone interact. energy: -0.329
local terms energy: -49.448233
where:
bonds (distance) C4'-P energy: -10.360
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -16.521
flat angles P-C4'-P energy: -5.155
tors. eta vs tors. theta energy: -3.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -206.380876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.380876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.380876 (E_RNA)
where:
Base-Base interactions energy: -125.313
where: short stacking energy: -67.352
Base-Backbone interact. energy: -0.068
local terms energy: -81.000724
where:
bonds (distance) C4'-P energy: -15.895
bonds (distance) P-C4' energy: -14.567
flat angles C4'-P-C4' energy: -17.747
flat angles P-C4'-P energy: -12.616
tors. eta vs tors. theta energy: -20.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -189.606398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.606398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.606398 (E_RNA)
where:
Base-Base interactions energy: -119.068
where: short stacking energy: -54.075
Base-Backbone interact. energy: -0.212
local terms energy: -70.326129
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -13.645
flat angles P-C4'-P energy: -8.076
tors. eta vs tors. theta energy: -17.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -179.015619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.015619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.015619 (E_RNA)
where:
Base-Base interactions energy: -119.771
where: short stacking energy: -47.071
Base-Backbone interact. energy: 1.379
local terms energy: -60.624116
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -17.401
flat angles C4'-P-C4' energy: -11.769
flat angles P-C4'-P energy: -8.514
tors. eta vs tors. theta energy: -10.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -189.944777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.944777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.944777 (E_RNA)
where:
Base-Base interactions energy: -126.970
where: short stacking energy: -59.523
Base-Backbone interact. energy: -0.053
local terms energy: -62.921071
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -10.909
flat angles P-C4'-P energy: -10.831
tors. eta vs tors. theta energy: -10.004
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: 10
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -155.445670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.445670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.445670 (E_RNA)
where:
Base-Base interactions energy: -97.335
where: short stacking energy: -45.725
Base-Backbone interact. energy: -0.540
local terms energy: -57.570951
where:
bonds (distance) C4'-P energy: -16.587
bonds (distance) P-C4' energy: -11.088
flat angles C4'-P-C4' energy: -14.240
flat angles P-C4'-P energy: -8.090
tors. eta vs tors. theta energy: -7.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -148.369484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.369484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.369484 (E_RNA)
where:
Base-Base interactions energy: -87.911
where: short stacking energy: -45.919
Base-Backbone interact. energy: -0.055
local terms energy: -60.403574
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -11.438
flat angles P-C4'-P energy: -8.713
tors. eta vs tors. theta energy: -9.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -92.979351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.979351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.979351 (E_RNA)
where:
Base-Base interactions energy: -41.588
where: short stacking energy: -30.145
Base-Backbone interact. energy: -0.094
local terms energy: -51.296549
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -12.384
flat angles P-C4'-P energy: -8.648
tors. eta vs tors. theta energy: 0.853
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: 1
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -83.842811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.842811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.842811 (E_RNA)
where:
Base-Base interactions energy: -35.575
where: short stacking energy: -35.121
Base-Backbone interact. energy: -0.296
local terms energy: -47.971836
where:
bonds (distance) C4'-P energy: -9.988
bonds (distance) P-C4' energy: -12.980
flat angles C4'-P-C4' energy: -12.138
flat angles P-C4'-P energy: -8.382
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: 9, replica: 3
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -77.022644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.022644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.022644 (E_RNA)
where:
Base-Base interactions energy: -21.261
where: short stacking energy: -20.420
Base-Backbone interact. energy: -0.011
local terms energy: -55.750867
where:
bonds (distance) C4'-P energy: -12.856
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -15.731
flat angles P-C4'-P energy: -9.573
tors. eta vs tors. theta energy: -3.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -84.847990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.847990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.847990 (E_RNA)
where:
Base-Base interactions energy: -31.251
where: short stacking energy: -31.161
Base-Backbone interact. energy: -0.286
local terms energy: -53.311406
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -12.059
flat angles C4'-P-C4' energy: -12.409
flat angles P-C4'-P energy: -6.752
tors. eta vs tors. theta energy: -7.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -209.745969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.745969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.745969 (E_RNA)
where:
Base-Base interactions energy: -140.101
where: short stacking energy: -58.409
Base-Backbone interact. energy: -0.986
local terms energy: -68.659150
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -14.207
flat angles C4'-P-C4' energy: -16.001
flat angles P-C4'-P energy: -11.508
tors. eta vs tors. theta energy: -14.906
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: 5
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -208.664199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.664199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.664199 (E_RNA)
where:
Base-Base interactions energy: -133.795
where: short stacking energy: -70.298
Base-Backbone interact. energy: -0.737
local terms energy: -74.132225
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -15.437
flat angles C4'-P-C4' energy: -14.406
flat angles P-C4'-P energy: -11.557
tors. eta vs tors. theta energy: -19.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -201.456688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.456688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.456688 (E_RNA)
where:
Base-Base interactions energy: -128.619
where: short stacking energy: -63.804
Base-Backbone interact. energy: 0.577
local terms energy: -73.414795
where:
bonds (distance) C4'-P energy: -13.311
bonds (distance) P-C4' energy: -15.726
flat angles C4'-P-C4' energy: -15.746
flat angles P-C4'-P energy: -11.516
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: 4, replica: 4
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -185.739716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.739716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.739716 (E_RNA)
where:
Base-Base interactions energy: -118.294
where: short stacking energy: -58.891
Base-Backbone interact. energy: -0.035
local terms energy: -67.410316
where:
bonds (distance) C4'-P energy: -9.579
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -9.609
flat angles P-C4'-P energy: -12.376
tors. eta vs tors. theta energy: -17.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -165.678071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.678071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.678071 (E_RNA)
where:
Base-Base interactions energy: -106.222
where: short stacking energy: -51.369
Base-Backbone interact. energy: -0.599
local terms energy: -58.857073
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -7.875
flat angles C4'-P-C4' energy: -16.298
flat angles P-C4'-P energy: -10.454
tors. eta vs tors. theta energy: -9.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -150.415490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.415490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.415490 (E_RNA)
where:
Base-Base interactions energy: -90.224
where: short stacking energy: -46.548
Base-Backbone interact. energy: -0.273
local terms energy: -59.919078
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -10.109
flat angles C4'-P-C4' energy: -16.461
flat angles P-C4'-P energy: -9.169
tors. eta vs tors. theta energy: -10.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -104.762920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.762920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.762920 (E_RNA)
where:
Base-Base interactions energy: -44.437
where: short stacking energy: -44.437
Base-Backbone interact. energy: -0.206
local terms energy: -60.120718
where:
bonds (distance) C4'-P energy: -10.011
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -14.135
flat angles P-C4'-P energy: -13.390
tors. eta vs tors. theta energy: -7.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -84.501896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.501896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.501896 (E_RNA)
where:
Base-Base interactions energy: -32.471
where: short stacking energy: -26.163
Base-Backbone interact. energy: -0.268
local terms energy: -51.763273
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -15.456
flat angles C4'-P-C4' energy: -12.840
flat angles P-C4'-P energy: -11.428
tors. eta vs tors. theta energy: 0.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -83.661790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.661790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.661790 (E_RNA)
where:
Base-Base interactions energy: -34.144
where: short stacking energy: -28.877
Base-Backbone interact. energy: -0.258
local terms energy: -49.259643
where:
bonds (distance) C4'-P energy: -12.489
bonds (distance) P-C4' energy: -12.116
flat angles C4'-P-C4' energy: -13.690
flat angles P-C4'-P energy: -6.403
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: 10, replica: 3
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -73.744504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.744504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.744504 (E_RNA)
where:
Base-Base interactions energy: -28.192
where: short stacking energy: -24.192
Base-Backbone interact. energy: -0.112
local terms energy: -45.440728
where:
bonds (distance) C4'-P energy: -9.458
bonds (distance) P-C4' energy: -15.654
flat angles C4'-P-C4' energy: -10.009
flat angles P-C4'-P energy: -6.769
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: 1, replica: 9
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -202.691219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.691219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.691219 (E_RNA)
where:
Base-Base interactions energy: -131.614
where: short stacking energy: -62.127
Base-Backbone interact. energy: -0.134
local terms energy: -70.942748
where:
bonds (distance) C4'-P energy: -12.255
bonds (distance) P-C4' energy: -11.952
flat angles C4'-P-C4' energy: -17.147
flat angles P-C4'-P energy: -10.878
tors. eta vs tors. theta energy: -18.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -214.924440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.924440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.924440 (E_RNA)
where:
Base-Base interactions energy: -133.613
where: short stacking energy: -72.095
Base-Backbone interact. energy: -0.015
local terms energy: -81.296427
where:
bonds (distance) C4'-P energy: -13.382
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -17.641
flat angles P-C4'-P energy: -11.888
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: 3, replica: 7
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -193.754718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.754718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.754718 (E_RNA)
where:
Base-Base interactions energy: -115.017
where: short stacking energy: -72.389
Base-Backbone interact. energy: -0.000
local terms energy: -78.737132
where:
bonds (distance) C4'-P energy: -10.448
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -16.835
flat angles P-C4'-P energy: -14.701
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: 4, replica: 4
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -179.472652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.472652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.472652 (E_RNA)
where:
Base-Base interactions energy: -115.782
where: short stacking energy: -44.806
Base-Backbone interact. energy: -0.030
local terms energy: -63.661141
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -14.658
flat angles P-C4'-P energy: -9.306
tors. eta vs tors. theta energy: -10.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -164.908740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.908740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.908740 (E_RNA)
where:
Base-Base interactions energy: -108.051
where: short stacking energy: -41.185
Base-Backbone interact. energy: -0.427
local terms energy: -56.430553
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -13.439
flat angles C4'-P-C4' energy: -10.286
flat angles P-C4'-P energy: -11.395
tors. eta vs tors. theta energy: -7.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -153.622441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.622441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.622441 (E_RNA)
where:
Base-Base interactions energy: -94.390
where: short stacking energy: -39.169
Base-Backbone interact. energy: 0.606
local terms energy: -59.838624
where:
bonds (distance) C4'-P energy: -11.458
bonds (distance) P-C4' energy: -15.743
flat angles C4'-P-C4' energy: -16.976
flat angles P-C4'-P energy: -10.346
tors. eta vs tors. theta energy: -5.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -98.667296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.667296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.667296 (E_RNA)
where:
Base-Base interactions energy: -41.473
where: short stacking energy: -39.980
Base-Backbone interact. energy: -0.062
local terms energy: -57.132458
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -10.216
flat angles P-C4'-P energy: -5.884
tors. eta vs tors. theta energy: -12.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -91.048648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.048648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.048648 (E_RNA)
where:
Base-Base interactions energy: -41.910
where: short stacking energy: -28.726
Base-Backbone interact. energy: 0.108
local terms energy: -49.246759
where:
bonds (distance) C4'-P energy: -13.235
bonds (distance) P-C4' energy: -15.277
flat angles C4'-P-C4' energy: -16.430
flat angles P-C4'-P energy: -5.952
tors. eta vs tors. theta energy: 1.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -86.842373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.842373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.842373 (E_RNA)
where:
Base-Base interactions energy: -32.504
where: short stacking energy: -29.690
Base-Backbone interact. energy: -0.100
local terms energy: -54.238430
where:
bonds (distance) C4'-P energy: -11.555
bonds (distance) P-C4' energy: -13.836
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -9.826
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: 10, replica: 3
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -86.182678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.182678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.182678 (E_RNA)
where:
Base-Base interactions energy: -40.834
where: short stacking energy: -23.378
Base-Backbone interact. energy: 0.086
local terms energy: -45.434232
where:
bonds (distance) C4'-P energy: -2.630
bonds (distance) P-C4' energy: -16.670
flat angles C4'-P-C4' energy: -13.028
flat angles P-C4'-P energy: -8.671
tors. eta vs tors. theta energy: -4.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -226.950872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.950872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.950872 (E_RNA)
where:
Base-Base interactions energy: -149.576
where: short stacking energy: -65.437
Base-Backbone interact. energy: -0.428
local terms energy: -76.947325
where:
bonds (distance) C4'-P energy: -16.558
bonds (distance) P-C4' energy: -13.521
flat angles C4'-P-C4' energy: -14.737
flat angles P-C4'-P energy: -12.820
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: 2, replica: 9
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -202.064467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.064467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.064467 (E_RNA)
where:
Base-Base interactions energy: -138.591
where: short stacking energy: -49.447
Base-Backbone interact. energy: -0.191
local terms energy: -63.282528
where:
bonds (distance) C4'-P energy: -11.439
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -10.515
flat angles P-C4'-P energy: -11.954
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: 3, replica: 4
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -181.364992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.364992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.364992 (E_RNA)
where:
Base-Base interactions energy: -119.707
where: short stacking energy: -59.254
Base-Backbone interact. energy: -0.006
local terms energy: -61.652678
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -9.992
flat angles C4'-P-C4' energy: -16.356
flat angles P-C4'-P energy: -5.584
tors. eta vs tors. theta energy: -15.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -198.769464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.769464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.769464 (E_RNA)
where:
Base-Base interactions energy: -132.174
where: short stacking energy: -68.587
Base-Backbone interact. energy: -0.008
local terms energy: -66.587743
where:
bonds (distance) C4'-P energy: -9.583
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -14.670
flat angles P-C4'-P energy: -7.964
tors. eta vs tors. theta energy: -18.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -165.793966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.793966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.793966 (E_RNA)
where:
Base-Base interactions energy: -105.610
where: short stacking energy: -48.183
Base-Backbone interact. energy: -0.072
local terms energy: -60.111200
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -14.179
flat angles P-C4'-P energy: -7.983
tors. eta vs tors. theta energy: -10.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -165.811093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.811093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.811093 (E_RNA)
where:
Base-Base interactions energy: -110.007
where: short stacking energy: -45.868
Base-Backbone interact. energy: -0.218
local terms energy: -55.585750
where:
bonds (distance) C4'-P energy: -12.009
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -11.923
flat angles P-C4'-P energy: -11.027
tors. eta vs tors. theta energy: -5.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -90.877916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.877916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.877916 (E_RNA)
where:
Base-Base interactions energy: -37.521
where: short stacking energy: -32.153
Base-Backbone interact. energy: -0.071
local terms energy: -53.285420
where:
bonds (distance) C4'-P energy: -12.497
bonds (distance) P-C4' energy: -14.650
flat angles C4'-P-C4' energy: -12.120
flat angles P-C4'-P energy: -9.481
tors. eta vs tors. theta energy: -4.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -86.113693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.113693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.113693 (E_RNA)
where:
Base-Base interactions energy: -46.408
where: short stacking energy: -30.032
Base-Backbone interact. energy: -0.167
local terms energy: -39.538854
where:
bonds (distance) C4'-P energy: -3.161
bonds (distance) P-C4' energy: -9.117
flat angles C4'-P-C4' energy: -14.289
flat angles P-C4'-P energy: -7.954
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: 3
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -99.373139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.373139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.373139 (E_RNA)
where:
Base-Base interactions energy: -45.762
where: short stacking energy: -35.644
Base-Backbone interact. energy: -0.387
local terms energy: -53.224405
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -9.864
flat angles P-C4'-P energy: -11.914
tors. eta vs tors. theta energy: -2.432
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: 8
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -80.453612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.453612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.453612 (E_RNA)
where:
Base-Base interactions energy: -31.215
where: short stacking energy: -26.632
Base-Backbone interact. energy: -0.087
local terms energy: -49.151252
where:
bonds (distance) C4'-P energy: -7.363
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -14.292
flat angles P-C4'-P energy: -10.869
tors. eta vs tors. theta energy: -4.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -215.261287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.261287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.261287 (E_RNA)
where:
Base-Base interactions energy: -134.817
where: short stacking energy: -60.513
Base-Backbone interact. energy: -0.011
local terms energy: -80.432954
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -13.601
tors. eta vs tors. theta energy: -20.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -188.934634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.934634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.934634 (E_RNA)
where:
Base-Base interactions energy: -124.224
where: short stacking energy: -53.629
Base-Backbone interact. energy: -0.978
local terms energy: -63.732282
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -8.521
flat angles P-C4'-P energy: -11.776
tors. eta vs tors. theta energy: -14.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -195.494852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.494852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.494852 (E_RNA)
where:
Base-Base interactions energy: -128.026
where: short stacking energy: -47.726
Base-Backbone interact. energy: -0.324
local terms energy: -67.144906
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -11.375
flat angles P-C4'-P energy: -14.976
tors. eta vs tors. theta energy: -10.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -160.802810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.802810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.802810 (E_RNA)
where:
Base-Base interactions energy: -93.586
where: short stacking energy: -51.901
Base-Backbone interact. energy: -0.111
local terms energy: -67.106569
where:
bonds (distance) C4'-P energy: -13.584
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -16.526
flat angles P-C4'-P energy: -6.766
tors. eta vs tors. theta energy: -14.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -191.253944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.253944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.253944 (E_RNA)
where:
Base-Base interactions energy: -121.944
where: short stacking energy: -64.744
Base-Backbone interact. energy: -0.003
local terms energy: -69.306621
where:
bonds (distance) C4'-P energy: -8.013
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -15.340
flat angles P-C4'-P energy: -12.969
tors. eta vs tors. theta energy: -18.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -156.942475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.942475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.942475 (E_RNA)
where:
Base-Base interactions energy: -101.086
where: short stacking energy: -37.436
Base-Backbone interact. energy: -0.173
local terms energy: -55.682880
where:
bonds (distance) C4'-P energy: -15.584
bonds (distance) P-C4' energy: -12.926
flat angles C4'-P-C4' energy: -13.406
flat angles P-C4'-P energy: -9.227
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: 7, replica: 6
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -100.318803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.318803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.318803 (E_RNA)
where:
Base-Base interactions energy: -37.335
where: short stacking energy: -34.370
Base-Backbone interact. energy: -0.079
local terms energy: -62.904284
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -12.637
flat angles P-C4'-P energy: -12.984
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: 3
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -82.023862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.023862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.023862 (E_RNA)
where:
Base-Base interactions energy: -31.812
where: short stacking energy: -31.210
Base-Backbone interact. energy: -0.004
local terms energy: -50.208472
where:
bonds (distance) C4'-P energy: -9.122
bonds (distance) P-C4' energy: -16.438
flat angles C4'-P-C4' energy: -12.230
flat angles P-C4'-P energy: -7.611
tors. eta vs tors. theta energy: -4.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -79.494024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.494024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.494024 (E_RNA)
where:
Base-Base interactions energy: -30.103
where: short stacking energy: -27.138
Base-Backbone interact. energy: -0.101
local terms energy: -49.289903
where:
bonds (distance) C4'-P energy: -9.938
bonds (distance) P-C4' energy: -13.575
flat angles C4'-P-C4' energy: -15.883
flat angles P-C4'-P energy: -8.389
tors. eta vs tors. theta energy: -1.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -76.642441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.642441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.642441 (E_RNA)
where:
Base-Base interactions energy: -30.008
where: short stacking energy: -24.640
Base-Backbone interact. energy: 0.435
local terms energy: -47.069301
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -16.255
flat angles C4'-P-C4' energy: -8.114
flat angles P-C4'-P energy: -8.162
tors. eta vs tors. theta energy: -2.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -228.437873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.437873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.437873 (E_RNA)
where:
Base-Base interactions energy: -144.818
where: short stacking energy: -65.936
Base-Backbone interact. energy: -0.297
local terms energy: -83.322690
where:
bonds (distance) C4'-P energy: -16.346
bonds (distance) P-C4' energy: -17.604
flat angles C4'-P-C4' energy: -16.296
flat angles P-C4'-P energy: -12.755
tors. eta vs tors. theta energy: -20.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -194.393567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.393567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.393567 (E_RNA)
where:
Base-Base interactions energy: -118.960
where: short stacking energy: -66.208
Base-Backbone interact. energy: -0.473
local terms energy: -74.961034
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -15.849
flat angles P-C4'-P energy: -9.764
tors. eta vs tors. theta energy: -17.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -183.530118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.530118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.530118 (E_RNA)
where:
Base-Base interactions energy: -115.543
where: short stacking energy: -61.907
Base-Backbone interact. energy: -0.139
local terms energy: -67.848646
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -11.713
flat angles C4'-P-C4' energy: -14.323
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: -18.035
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: 10
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -166.187382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.187382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.187382 (E_RNA)
where:
Base-Base interactions energy: -105.299
where: short stacking energy: -48.755
Base-Backbone interact. energy: -0.102
local terms energy: -60.786922
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -15.472
flat angles P-C4'-P energy: -6.901
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: 5, replica: 2
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -162.090753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.090753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.090753 (E_RNA)
where:
Base-Base interactions energy: -98.830
where: short stacking energy: -56.632
Base-Backbone interact. energy: -0.240
local terms energy: -63.020288
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -15.830
flat angles C4'-P-C4' energy: -13.234
flat angles P-C4'-P energy: -11.421
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: 6, replica: 7
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -164.778095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.778095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.778095 (E_RNA)
where:
Base-Base interactions energy: -105.169
where: short stacking energy: -53.572
Base-Backbone interact. energy: -0.001
local terms energy: -59.608182
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -16.551
flat angles P-C4'-P energy: -3.699
tors. eta vs tors. theta energy: -12.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -84.362910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.362910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.362910 (E_RNA)
where:
Base-Base interactions energy: -41.310
where: short stacking energy: -32.514
Base-Backbone interact. energy: -0.082
local terms energy: -42.971015
where:
bonds (distance) C4'-P energy: -11.487
bonds (distance) P-C4' energy: -9.854
flat angles C4'-P-C4' energy: -12.156
flat angles P-C4'-P energy: -5.317
tors. eta vs tors. theta energy: -4.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -87.639347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.639347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.639347 (E_RNA)
where:
Base-Base interactions energy: -32.035
where: short stacking energy: -32.035
Base-Backbone interact. energy: -0.008
local terms energy: -55.596771
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -13.579
flat angles C4'-P-C4' energy: -11.739
flat angles P-C4'-P energy: -10.196
tors. eta vs tors. theta energy: -7.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -79.793282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.793282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.793282 (E_RNA)
where:
Base-Base interactions energy: -23.200
where: short stacking energy: -18.616
Base-Backbone interact. energy: -0.962
local terms energy: -55.630725
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -17.128
flat angles C4'-P-C4' energy: -16.645
flat angles P-C4'-P energy: -8.848
tors. eta vs tors. theta energy: 0.732
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: 182
Temperature: 1.350000
Total energy: -78.738564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.738564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.738564 (E_RNA)
where:
Base-Base interactions energy: -35.495
where: short stacking energy: -27.441
Base-Backbone interact. energy: -0.107
local terms energy: -43.137396
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -11.548
flat angles P-C4'-P energy: 0.947
tors. eta vs tors. theta energy: -2.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -209.378764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.378764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.378764 (E_RNA)
where:
Base-Base interactions energy: -133.437
where: short stacking energy: -57.909
Base-Backbone interact. energy: -0.239
local terms energy: -75.703091
where:
bonds (distance) C4'-P energy: -13.844
bonds (distance) P-C4' energy: -12.128
flat angles C4'-P-C4' energy: -15.960
flat angles P-C4'-P energy: -14.274
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: 2, replica: 9
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -191.706713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.706713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.706713 (E_RNA)
where:
Base-Base interactions energy: -125.511
where: short stacking energy: -48.719
Base-Backbone interact. energy: -0.122
local terms energy: -66.073546
where:
bonds (distance) C4'-P energy: -18.101
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -15.828
flat angles P-C4'-P energy: -9.652
tors. eta vs tors. theta energy: -7.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -190.073411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.073411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.073411 (E_RNA)
where:
Base-Base interactions energy: -115.249
where: short stacking energy: -60.855
Base-Backbone interact. energy: -0.485
local terms energy: -74.339210
where:
bonds (distance) C4'-P energy: -16.491
bonds (distance) P-C4' energy: -16.014
flat angles C4'-P-C4' energy: -14.045
flat angles P-C4'-P energy: -11.851
tors. eta vs tors. theta energy: -15.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -191.103267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.103267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.103267 (E_RNA)
where:
Base-Base interactions energy: -120.817
where: short stacking energy: -64.109
Base-Backbone interact. energy: -1.371
local terms energy: -68.914643
where:
bonds (distance) C4'-P energy: -10.662
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -13.327
flat angles P-C4'-P energy: -9.558
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: 5, replica: 2
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -173.960481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.960481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.960481 (E_RNA)
where:
Base-Base interactions energy: -110.815
where: short stacking energy: -53.571
Base-Backbone interact. energy: 1.245
local terms energy: -64.389727
where:
bonds (distance) C4'-P energy: -15.344
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -11.025
flat angles P-C4'-P energy: -8.977
tors. eta vs tors. theta energy: -13.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -156.243013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.243013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.243013 (E_RNA)
where:
Base-Base interactions energy: -96.138
where: short stacking energy: -40.701
Base-Backbone interact. energy: -0.495
local terms energy: -59.609936
where:
bonds (distance) C4'-P energy: -10.745
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -10.769
flat angles P-C4'-P energy: -10.375
tors. eta vs tors. theta energy: -11.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -112.943623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.943623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.943623 (E_RNA)
where:
Base-Base interactions energy: -58.302
where: short stacking energy: -41.891
Base-Backbone interact. energy: -0.119
local terms energy: -54.522657
where:
bonds (distance) C4'-P energy: -11.138
bonds (distance) P-C4' energy: -10.971
flat angles C4'-P-C4' energy: -13.327
flat angles P-C4'-P energy: -10.686
tors. eta vs tors. theta energy: -8.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -109.335510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.335510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.335510 (E_RNA)
where:
Base-Base interactions energy: -51.867
where: short stacking energy: -28.323
Base-Backbone interact. energy: -0.062
local terms energy: -57.406964
where:
bonds (distance) C4'-P energy: -10.055
bonds (distance) P-C4' energy: -18.185
flat angles C4'-P-C4' energy: -16.034
flat angles P-C4'-P energy: -8.583
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: 9, replica: 6
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -87.856536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.856536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.856536 (E_RNA)
where:
Base-Base interactions energy: -30.964
where: short stacking energy: -30.964
Base-Backbone interact. energy: -0.023
local terms energy: -56.869630
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -11.525
flat angles C4'-P-C4' energy: -14.520
flat angles P-C4'-P energy: -12.562
tors. eta vs tors. theta energy: -3.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -83.450536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.450536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.450536 (E_RNA)
where:
Base-Base interactions energy: -30.602
where: short stacking energy: -22.604
Base-Backbone interact. energy: -0.132
local terms energy: -52.716633
where:
bonds (distance) C4'-P energy: -16.802
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -4.403
tors. eta vs tors. theta energy: 0.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -205.004248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.004248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.004248 (E_RNA)
where:
Base-Base interactions energy: -139.767
where: short stacking energy: -60.293
Base-Backbone interact. energy: 0.650
local terms energy: -65.887669
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -15.738
flat angles C4'-P-C4' energy: -14.360
flat angles P-C4'-P energy: -10.783
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: 2, replica: 5
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -214.240405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.240405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.240405 (E_RNA)
where:
Base-Base interactions energy: -140.067
where: short stacking energy: -64.121
Base-Backbone interact. energy: -0.187
local terms energy: -73.986233
where:
bonds (distance) C4'-P energy: -11.359
bonds (distance) P-C4' energy: -14.627
flat angles C4'-P-C4' energy: -15.818
flat angles P-C4'-P energy: -10.157
tors. eta vs tors. theta energy: -22.026
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: 10
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -172.386829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.386829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.386829 (E_RNA)
where:
Base-Base interactions energy: -102.497
where: short stacking energy: -61.941
Base-Backbone interact. energy: -0.080
local terms energy: -69.809975
where:
bonds (distance) C4'-P energy: -11.196
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -14.946
flat angles P-C4'-P energy: -7.230
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: 4
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -189.240577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.240577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.240577 (E_RNA)
where:
Base-Base interactions energy: -133.143
where: short stacking energy: -55.647
Base-Backbone interact. energy: 0.743
local terms energy: -56.840216
where:
bonds (distance) C4'-P energy: -8.223
bonds (distance) P-C4' energy: -13.477
flat angles C4'-P-C4' energy: -12.809
flat angles P-C4'-P energy: -7.730
tors. eta vs tors. theta energy: -14.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -156.197416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.197416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.197416 (E_RNA)
where:
Base-Base interactions energy: -93.801
where: short stacking energy: -48.875
Base-Backbone interact. energy: 0.538
local terms energy: -62.933978
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -10.457
flat angles C4'-P-C4' energy: -12.369
flat angles P-C4'-P energy: -9.005
tors. eta vs tors. theta energy: -15.010
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: 7
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -156.153944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.153944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.153944 (E_RNA)
where:
Base-Base interactions energy: -94.607
where: short stacking energy: -39.826
Base-Backbone interact. energy: -0.003
local terms energy: -61.544166
where:
bonds (distance) C4'-P energy: -15.431
bonds (distance) P-C4' energy: -14.167
flat angles C4'-P-C4' energy: -14.258
flat angles P-C4'-P energy: -10.165
tors. eta vs tors. theta energy: -7.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -92.042143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.042143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.042143 (E_RNA)
where:
Base-Base interactions energy: -36.262
where: short stacking energy: -34.880
Base-Backbone interact. energy: 2.917
local terms energy: -58.696557
where:
bonds (distance) C4'-P energy: -11.023
bonds (distance) P-C4' energy: -15.056
flat angles C4'-P-C4' energy: -16.640
flat angles P-C4'-P energy: -7.438
tors. eta vs tors. theta energy: -8.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -84.881526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.881526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.881526 (E_RNA)
where:
Base-Base interactions energy: -29.914
where: short stacking energy: -29.452
Base-Backbone interact. energy: -0.073
local terms energy: -54.893779
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -14.634
flat angles C4'-P-C4' energy: -14.690
flat angles P-C4'-P energy: -6.203
tors. eta vs tors. theta energy: -4.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -92.488785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.488785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.488785 (E_RNA)
where:
Base-Base interactions energy: -41.014
where: short stacking energy: -27.476
Base-Backbone interact. energy: -0.501
local terms energy: -50.974088
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -8.483
flat angles P-C4'-P energy: -5.593
tors. eta vs tors. theta energy: -5.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -75.931725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.931725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.931725 (E_RNA)
where:
Base-Base interactions energy: -37.466
where: short stacking energy: -28.166
Base-Backbone interact. energy: -0.193
local terms energy: -38.272747
where:
bonds (distance) C4'-P energy: -12.070
bonds (distance) P-C4' energy: -10.153
flat angles C4'-P-C4' energy: -9.161
flat angles P-C4'-P energy: -7.753
tors. eta vs tors. theta energy: 0.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -209.205750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.205750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.205750 (E_RNA)
where:
Base-Base interactions energy: -144.622
where: short stacking energy: -64.858
Base-Backbone interact. energy: -0.220
local terms energy: -64.363743
where:
bonds (distance) C4'-P energy: -11.781
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -10.821
flat angles P-C4'-P energy: -12.320
tors. eta vs tors. theta energy: -14.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -181.980057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.980057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.980057 (E_RNA)
where:
Base-Base interactions energy: -104.868
where: short stacking energy: -59.921
Base-Backbone interact. energy: 0.128
local terms energy: -77.240443
where:
bonds (distance) C4'-P energy: -16.371
bonds (distance) P-C4' energy: -12.737
flat angles C4'-P-C4' energy: -15.680
flat angles P-C4'-P energy: -14.653
tors. eta vs tors. theta energy: -17.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -210.623299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.623299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.623299 (E_RNA)
where:
Base-Base interactions energy: -140.883
where: short stacking energy: -65.602
Base-Backbone interact. energy: -0.027
local terms energy: -69.713493
where:
bonds (distance) C4'-P energy: -12.464
bonds (distance) P-C4' energy: -8.297
flat angles C4'-P-C4' energy: -15.966
flat angles P-C4'-P energy: -12.708
tors. eta vs tors. theta energy: -20.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -190.664331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.664331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.664331 (E_RNA)
where:
Base-Base interactions energy: -121.013
where: short stacking energy: -50.935
Base-Backbone interact. energy: -0.753
local terms energy: -68.899039
where:
bonds (distance) C4'-P energy: -12.074
bonds (distance) P-C4' energy: -13.878
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -12.008
tors. eta vs tors. theta energy: -15.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -181.455072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.455072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.455072 (E_RNA)
where:
Base-Base interactions energy: -116.619
where: short stacking energy: -53.367
Base-Backbone interact. energy: -0.024
local terms energy: -64.812427
where:
bonds (distance) C4'-P energy: -14.827
bonds (distance) P-C4' energy: -15.179
flat angles C4'-P-C4' energy: -12.990
flat angles P-C4'-P energy: -4.825
tors. eta vs tors. theta energy: -16.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -111.377679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.377679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.377679 (E_RNA)
where:
Base-Base interactions energy: -54.012
where: short stacking energy: -39.694
Base-Backbone interact. energy: -0.135
local terms energy: -57.230914
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -12.267
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: -7.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -147.819708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.819708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.819708 (E_RNA)
where:
Base-Base interactions energy: -90.950
where: short stacking energy: -52.837
Base-Backbone interact. energy: 1.596
local terms energy: -58.465711
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -11.334
flat angles C4'-P-C4' energy: -14.474
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -11.330
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: 1
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -88.695573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.695573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.695573 (E_RNA)
where:
Base-Base interactions energy: -44.528
where: short stacking energy: -29.882
Base-Backbone interact. energy: -0.886
local terms energy: -43.281832
where:
bonds (distance) C4'-P energy: -11.928
bonds (distance) P-C4' energy: -8.733
flat angles C4'-P-C4' energy: -13.553
flat angles P-C4'-P energy: -5.727
tors. eta vs tors. theta energy: -3.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -90.254604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.254604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.254604 (E_RNA)
where:
Base-Base interactions energy: -43.974
where: short stacking energy: -36.056
Base-Backbone interact. energy: -0.074
local terms energy: -46.207214
where:
bonds (distance) C4'-P energy: -11.856
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -9.481
flat angles P-C4'-P energy: -7.994
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: 10, replica: 6
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -78.470119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.470119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.470119 (E_RNA)
where:
Base-Base interactions energy: -34.179
where: short stacking energy: -31.134
Base-Backbone interact. energy: -0.247
local terms energy: -44.044513
where:
bonds (distance) C4'-P energy: -11.788
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -11.724
flat angles P-C4'-P energy: -7.748
tors. eta vs tors. theta energy: 2.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -205.702400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.702400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.702400 (E_RNA)
where:
Base-Base interactions energy: -137.653
where: short stacking energy: -57.537
Base-Backbone interact. energy: -0.101
local terms energy: -67.947828
where:
bonds (distance) C4'-P energy: -13.296
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -14.634
flat angles P-C4'-P energy: -8.116
tors. eta vs tors. theta energy: -16.087
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: 2, replica: 10
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -175.553590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.553590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.553590 (E_RNA)
where:
Base-Base interactions energy: -103.111
where: short stacking energy: -63.094
Base-Backbone interact. energy: -0.026
local terms energy: -72.415979
where:
bonds (distance) C4'-P energy: -15.437
bonds (distance) P-C4' energy: -16.541
flat angles C4'-P-C4' energy: -13.414
flat angles P-C4'-P energy: -10.840
tors. eta vs tors. theta energy: -16.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -193.518018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.518018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.518018 (E_RNA)
where:
Base-Base interactions energy: -128.269
where: short stacking energy: -51.478
Base-Backbone interact. energy: -0.142
local terms energy: -65.107381
where:
bonds (distance) C4'-P energy: -14.307
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -12.806
flat angles P-C4'-P energy: -6.337
tors. eta vs tors. theta energy: -16.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -179.603902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.603902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.603902 (E_RNA)
where:
Base-Base interactions energy: -115.693
where: short stacking energy: -53.420
Base-Backbone interact. energy: -0.622
local terms energy: -63.288920
where:
bonds (distance) C4'-P energy: -13.456
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -9.469
flat angles P-C4'-P energy: -9.091
tors. eta vs tors. theta energy: -16.551
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: 5, replica: 4
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -176.739745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.739745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.739745 (E_RNA)
where:
Base-Base interactions energy: -112.105
where: short stacking energy: -57.049
Base-Backbone interact. energy: -0.090
local terms energy: -64.544651
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -13.305
flat angles P-C4'-P energy: -11.965
tors. eta vs tors. theta energy: -11.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -107.310607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.310607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.310607 (E_RNA)
where:
Base-Base interactions energy: -56.631
where: short stacking energy: -47.009
Base-Backbone interact. energy: -0.300
local terms energy: -50.379149
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -13.853
flat angles C4'-P-C4' energy: -13.245
flat angles P-C4'-P energy: -3.277
tors. eta vs tors. theta energy: -7.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -143.790957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.790957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.790957 (E_RNA)
where:
Base-Base interactions energy: -82.253
where: short stacking energy: -44.546
Base-Backbone interact. energy: -0.060
local terms energy: -61.477480
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -15.174
flat angles P-C4'-P energy: -10.244
tors. eta vs tors. theta energy: -5.881
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: 1
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -84.181133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.181133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.181133 (E_RNA)
where:
Base-Base interactions energy: -29.371
where: short stacking energy: -28.824
Base-Backbone interact. energy: -0.152
local terms energy: -54.657543
where:
bonds (distance) C4'-P energy: -10.696
bonds (distance) P-C4' energy: -14.215
flat angles C4'-P-C4' energy: -14.821
flat angles P-C4'-P energy: -11.003
tors. eta vs tors. theta energy: -3.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -93.189390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.189390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.189390 (E_RNA)
where:
Base-Base interactions energy: -42.289
where: short stacking energy: -25.429
Base-Backbone interact. energy: -0.313
local terms energy: -50.587249
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -12.520
flat angles C4'-P-C4' energy: -13.074
flat angles P-C4'-P energy: -11.983
tors. eta vs tors. theta energy: 0.923
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: 3
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -79.397847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.397847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.397847 (E_RNA)
where:
Base-Base interactions energy: -40.015
where: short stacking energy: -25.539
Base-Backbone interact. energy: -0.154
local terms energy: -39.228899
where:
bonds (distance) C4'-P energy: -11.370
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -8.124
flat angles P-C4'-P energy: -4.877
tors. eta vs tors. theta energy: 0.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -206.428373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.428373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.428373 (E_RNA)
where:
Base-Base interactions energy: -136.112
where: short stacking energy: -61.593
Base-Backbone interact. energy: -0.269
local terms energy: -70.047243
where:
bonds (distance) C4'-P energy: -16.139
bonds (distance) P-C4' energy: -14.460
flat angles C4'-P-C4' energy: -15.679
flat angles P-C4'-P energy: -5.460
tors. eta vs tors. theta energy: -18.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -193.013449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.013449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.013449 (E_RNA)
where:
Base-Base interactions energy: -129.494
where: short stacking energy: -62.311
Base-Backbone interact. energy: -0.129
local terms energy: -63.389915
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -9.011
flat angles P-C4'-P energy: -7.382
tors. eta vs tors. theta energy: -16.167
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: 10
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -164.876129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.876129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.876129 (E_RNA)
where:
Base-Base interactions energy: -92.967
where: short stacking energy: -54.198
Base-Backbone interact. energy: -0.025
local terms energy: -71.884813
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -14.911
flat angles P-C4'-P energy: -14.310
tors. eta vs tors. theta energy: -14.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -198.362081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.362081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.362081 (E_RNA)
where:
Base-Base interactions energy: -123.351
where: short stacking energy: -55.865
Base-Backbone interact. energy: -0.376
local terms energy: -74.635080
where:
bonds (distance) C4'-P energy: -15.917
bonds (distance) P-C4' energy: -15.518
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -19.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -178.764635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.764635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.764635 (E_RNA)
where:
Base-Base interactions energy: -115.111
where: short stacking energy: -51.639
Base-Backbone interact. energy: -0.547
local terms energy: -63.106243
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -11.115
flat angles C4'-P-C4' energy: -14.652
flat angles P-C4'-P energy: -13.041
tors. eta vs tors. theta energy: -10.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -137.625670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.625670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.625670 (E_RNA)
where:
Base-Base interactions energy: -87.217
where: short stacking energy: -43.175
Base-Backbone interact. energy: -0.006
local terms energy: -50.403017
where:
bonds (distance) C4'-P energy: -10.672
bonds (distance) P-C4' energy: -10.578
flat angles C4'-P-C4' energy: -12.010
flat angles P-C4'-P energy: -8.272
tors. eta vs tors. theta energy: -8.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -94.343036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.343036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.343036 (E_RNA)
where:
Base-Base interactions energy: -48.429
where: short stacking energy: -33.801
Base-Backbone interact. energy: 1.785
local terms energy: -47.699067
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -13.193
flat angles C4'-P-C4' energy: -11.556
flat angles P-C4'-P energy: -9.251
tors. eta vs tors. theta energy: -1.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -90.651182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.651182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.651182 (E_RNA)
where:
Base-Base interactions energy: -39.807
where: short stacking energy: -37.534
Base-Backbone interact. energy: -0.190
local terms energy: -50.653430
where:
bonds (distance) C4'-P energy: -9.801
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -14.132
flat angles P-C4'-P energy: -8.729
tors. eta vs tors. theta energy: -2.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -92.584007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.584007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.584007 (E_RNA)
where:
Base-Base interactions energy: -45.458
where: short stacking energy: -39.280
Base-Backbone interact. energy: -0.847
local terms energy: -46.279334
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -10.114
flat angles P-C4'-P energy: -0.928
tors. eta vs tors. theta energy: -7.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -79.804574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.804574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.804574 (E_RNA)
where:
Base-Base interactions energy: -26.812
where: short stacking energy: -26.459
Base-Backbone interact. energy: -0.515
local terms energy: -52.477504
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -14.362
flat angles P-C4'-P energy: -7.083
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: 1, replica: 9
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -202.836608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.836608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.836608 (E_RNA)
where:
Base-Base interactions energy: -129.481
where: short stacking energy: -60.180
Base-Backbone interact. energy: -0.171
local terms energy: -73.184421
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -17.328
flat angles P-C4'-P energy: -6.638
tors. eta vs tors. theta energy: -20.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -204.875466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.875466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.875466 (E_RNA)
where:
Base-Base interactions energy: -129.775
where: short stacking energy: -67.105
Base-Backbone interact. energy: -0.099
local terms energy: -75.000999
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -16.282
flat angles P-C4'-P energy: -6.858
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: 3, replica: 5
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -184.741272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.741272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.741272 (E_RNA)
where:
Base-Base interactions energy: -109.387
where: short stacking energy: -61.594
Base-Backbone interact. energy: -0.003
local terms energy: -75.350906
where:
bonds (distance) C4'-P energy: -14.014
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -14.282
flat angles P-C4'-P energy: -12.193
tors. eta vs tors. theta energy: -19.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -165.288148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.288148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.288148 (E_RNA)
where:
Base-Base interactions energy: -100.094
where: short stacking energy: -51.873
Base-Backbone interact. energy: -0.621
local terms energy: -64.573295
where:
bonds (distance) C4'-P energy: -13.974
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -13.081
flat angles P-C4'-P energy: -6.327
tors. eta vs tors. theta energy: -14.856
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: 4
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -176.775910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.775910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.775910 (E_RNA)
where:
Base-Base interactions energy: -120.829
where: short stacking energy: -54.752
Base-Backbone interact. energy: -0.056
local terms energy: -55.890819
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -7.256
flat angles C4'-P-C4' energy: -12.820
flat angles P-C4'-P energy: -6.805
tors. eta vs tors. theta energy: -15.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -164.805821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.805821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.805821 (E_RNA)
where:
Base-Base interactions energy: -93.929
where: short stacking energy: -55.360
Base-Backbone interact. energy: -0.219
local terms energy: -70.657171
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -16.451
flat angles C4'-P-C4' energy: -14.306
flat angles P-C4'-P energy: -6.956
tors. eta vs tors. theta energy: -18.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -89.109366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.109366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.109366 (E_RNA)
where:
Base-Base interactions energy: -35.567
where: short stacking energy: -25.577
Base-Backbone interact. energy: -0.064
local terms energy: -53.478919
where:
bonds (distance) C4'-P energy: -12.272
bonds (distance) P-C4' energy: -14.847
flat angles C4'-P-C4' energy: -13.902
flat angles P-C4'-P energy: -10.354
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: 8, replica: 8
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -113.378258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.378258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.378258 (E_RNA)
where:
Base-Base interactions energy: -65.758
where: short stacking energy: -30.727
Base-Backbone interact. energy: -0.383
local terms energy: -47.238116
where:
bonds (distance) C4'-P energy: -10.474
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -12.326
flat angles P-C4'-P energy: -10.461
tors. eta vs tors. theta energy: -1.516
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: 3
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -84.335341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.335341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.335341 (E_RNA)
where:
Base-Base interactions energy: -38.637
where: short stacking energy: -22.137
Base-Backbone interact. energy: -0.075
local terms energy: -45.622893
where:
bonds (distance) C4'-P energy: -11.552
bonds (distance) P-C4' energy: -9.870
flat angles C4'-P-C4' energy: -14.330
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: 0.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -85.207869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.207869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.207869 (E_RNA)
where:
Base-Base interactions energy: -28.994
where: short stacking energy: -28.994
Base-Backbone interact. energy: 0.305
local terms energy: -56.518615
where:
bonds (distance) C4'-P energy: -12.738
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -16.025
flat angles P-C4'-P energy: -7.972
tors. eta vs tors. theta energy: -2.951
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: 9
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -210.775141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.775141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.775141 (E_RNA)
where:
Base-Base interactions energy: -144.016
where: short stacking energy: -61.109
Base-Backbone interact. energy: -0.099
local terms energy: -66.659848
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -13.129
flat angles P-C4'-P energy: -8.606
tors. eta vs tors. theta energy: -16.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -207.754519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.754519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.754519 (E_RNA)
where:
Base-Base interactions energy: -134.872
where: short stacking energy: -64.382
Base-Backbone interact. energy: 0.515
local terms energy: -73.397785
where:
bonds (distance) C4'-P energy: -15.743
bonds (distance) P-C4' energy: -13.707
flat angles C4'-P-C4' energy: -17.204
flat angles P-C4'-P energy: -8.221
tors. eta vs tors. theta energy: -18.523
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: 5
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -170.446157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.446157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.446157 (E_RNA)
where:
Base-Base interactions energy: -103.264
where: short stacking energy: -50.902
Base-Backbone interact. energy: -1.350
local terms energy: -65.832394
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -15.654
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -10.969
tors. eta vs tors. theta energy: -12.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -167.405648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.405648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.405648 (E_RNA)
where:
Base-Base interactions energy: -103.434
where: short stacking energy: -60.851
Base-Backbone interact. energy: 0.476
local terms energy: -64.447059
where:
bonds (distance) C4'-P energy: -13.283
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -5.351
tors. eta vs tors. theta energy: -13.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -175.902528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.902528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.902528 (E_RNA)
where:
Base-Base interactions energy: -115.806
where: short stacking energy: -51.490
Base-Backbone interact. energy: -0.120
local terms energy: -59.976240
where:
bonds (distance) C4'-P energy: -14.631
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -13.932
flat angles P-C4'-P energy: -9.382
tors. eta vs tors. theta energy: -7.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -137.652113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.652113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.652113 (E_RNA)
where:
Base-Base interactions energy: -79.912
where: short stacking energy: -36.870
Base-Backbone interact. energy: -0.083
local terms energy: -57.657357
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -11.803
flat angles P-C4'-P energy: -8.326
tors. eta vs tors. theta energy: -5.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -103.729676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.729676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.729676 (E_RNA)
where:
Base-Base interactions energy: -53.347
where: short stacking energy: -35.974
Base-Backbone interact. energy: -0.662
local terms energy: -49.720009
where:
bonds (distance) C4'-P energy: -6.636
bonds (distance) P-C4' energy: -11.600
flat angles C4'-P-C4' energy: -14.819
flat angles P-C4'-P energy: -8.782
tors. eta vs tors. theta energy: -7.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -96.606331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.606331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.606331 (E_RNA)
where:
Base-Base interactions energy: -51.477
where: short stacking energy: -23.244
Base-Backbone interact. energy: -0.136
local terms energy: -44.993370
where:
bonds (distance) C4'-P energy: -10.489
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -9.029
flat angles P-C4'-P energy: -9.965
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: 3
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -85.039056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.039056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.039056 (E_RNA)
where:
Base-Base interactions energy: -35.185
where: short stacking energy: -29.723
Base-Backbone interact. energy: 1.609
local terms energy: -51.463340
where:
bonds (distance) C4'-P energy: -9.164
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -13.116
flat angles P-C4'-P energy: -12.331
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: 10, replica: 6
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -88.193089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.193089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.193089 (E_RNA)
where:
Base-Base interactions energy: -41.440
where: short stacking energy: -40.255
Base-Backbone interact. energy: -0.074
local terms energy: -46.679181
where:
bonds (distance) C4'-P energy: -10.654
bonds (distance) P-C4' energy: -13.806
flat angles C4'-P-C4' energy: -7.123
flat angles P-C4'-P energy: -5.698
tors. eta vs tors. theta energy: -9.398
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: 2
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -195.286904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.286904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.286904 (E_RNA)
where:
Base-Base interactions energy: -122.245
where: short stacking energy: -62.070
Base-Backbone interact. energy: -0.357
local terms energy: -72.685391
where:
bonds (distance) C4'-P energy: -13.656
bonds (distance) P-C4' energy: -11.457
flat angles C4'-P-C4' energy: -17.758
flat angles P-C4'-P energy: -11.946
tors. eta vs tors. theta energy: -17.869
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: 9
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -207.518043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.518043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.518043 (E_RNA)
where:
Base-Base interactions energy: -140.028
where: short stacking energy: -52.884
Base-Backbone interact. energy: -0.504
local terms energy: -66.986616
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -12.857
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -14.599
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: 10
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -180.620300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.620300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.620300 (E_RNA)
where:
Base-Base interactions energy: -111.468
where: short stacking energy: -62.098
Base-Backbone interact. energy: -0.300
local terms energy: -68.851359
where:
bonds (distance) C4'-P energy: -11.830
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -15.103
flat angles P-C4'-P energy: -11.451
tors. eta vs tors. theta energy: -15.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -187.175109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.175109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.175109 (E_RNA)
where:
Base-Base interactions energy: -112.261
where: short stacking energy: -54.934
Base-Backbone interact. energy: -0.295
local terms energy: -74.618761
where:
bonds (distance) C4'-P energy: -16.217
bonds (distance) P-C4' energy: -16.328
flat angles C4'-P-C4' energy: -14.262
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: -17.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -187.268456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.268456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.268456 (E_RNA)
where:
Base-Base interactions energy: -119.279
where: short stacking energy: -53.279
Base-Backbone interact. energy: -0.000
local terms energy: -67.989378
where:
bonds (distance) C4'-P energy: -14.201
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -8.050
tors. eta vs tors. theta energy: -15.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -150.858575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.858575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.858575 (E_RNA)
where:
Base-Base interactions energy: -101.462
where: short stacking energy: -40.588
Base-Backbone interact. energy: -0.351
local terms energy: -49.046236
where:
bonds (distance) C4'-P energy: -11.966
bonds (distance) P-C4' energy: -12.121
flat angles C4'-P-C4' energy: -6.866
flat angles P-C4'-P energy: -12.211
tors. eta vs tors. theta energy: -5.881
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: 8
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -99.637298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.637298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.637298 (E_RNA)
where:
Base-Base interactions energy: -42.655
where: short stacking energy: -42.655
Base-Backbone interact. energy: 0.421
local terms energy: -57.403655
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -12.758
flat angles P-C4'-P energy: -8.114
tors. eta vs tors. theta energy: -9.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -84.286839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.286839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.286839 (E_RNA)
where:
Base-Base interactions energy: -38.507
where: short stacking energy: -36.979
Base-Backbone interact. energy: -0.343
local terms energy: -45.436351
where:
bonds (distance) C4'-P energy: -12.052
bonds (distance) P-C4' energy: -10.083
flat angles C4'-P-C4' energy: -11.708
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -0.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -82.565190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.565190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.565190 (E_RNA)
where:
Base-Base interactions energy: -32.992
where: short stacking energy: -32.992
Base-Backbone interact. energy: 0.224
local terms energy: -49.796632
where:
bonds (distance) C4'-P energy: -16.044
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -10.667
flat angles P-C4'-P energy: -5.296
tors. eta vs tors. theta energy: -3.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -80.275076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.275076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.275076 (E_RNA)
where:
Base-Base interactions energy: -33.134
where: short stacking energy: -33.134
Base-Backbone interact. energy: -0.121
local terms energy: -47.020574
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -6.563
flat angles P-C4'-P energy: -10.717
tors. eta vs tors. theta energy: -3.645
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: 2
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -195.004151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.004151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.004151 (E_RNA)
where:
Base-Base interactions energy: -126.808
where: short stacking energy: -53.713
Base-Backbone interact. energy: -0.585
local terms energy: -67.610220
where:
bonds (distance) C4'-P energy: -15.639
bonds (distance) P-C4' energy: -16.649
flat angles C4'-P-C4' energy: -14.491
flat angles P-C4'-P energy: -7.367
tors. eta vs tors. theta energy: -13.465
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: 9
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -209.069597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.069597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.069597 (E_RNA)
where:
Base-Base interactions energy: -141.974
where: short stacking energy: -67.595
Base-Backbone interact. energy: -0.002
local terms energy: -67.093005
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -12.217
flat angles C4'-P-C4' energy: -14.543
flat angles P-C4'-P energy: -11.311
tors. eta vs tors. theta energy: -14.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -174.446562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.446562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.446562 (E_RNA)
where:
Base-Base interactions energy: -112.549
where: short stacking energy: -50.325
Base-Backbone interact. energy: -0.074
local terms energy: -61.824079
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -8.918
tors. eta vs tors. theta energy: -11.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -203.333435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.333435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.333435 (E_RNA)
where:
Base-Base interactions energy: -131.498
where: short stacking energy: -68.163
Base-Backbone interact. energy: -0.032
local terms energy: -71.804145
where:
bonds (distance) C4'-P energy: -11.408
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -15.798
flat angles P-C4'-P energy: -8.218
tors. eta vs tors. theta energy: -21.761
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: 4
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -181.973148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.973148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.973148 (E_RNA)
where:
Base-Base interactions energy: -113.603
where: short stacking energy: -55.735
Base-Backbone interact. energy: -0.075
local terms energy: -68.295482
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -14.749
flat angles P-C4'-P energy: -10.918
tors. eta vs tors. theta energy: -15.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -146.259721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.259721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.259721 (E_RNA)
where:
Base-Base interactions energy: -88.086
where: short stacking energy: -44.414
Base-Backbone interact. energy: -0.111
local terms energy: -58.062773
where:
bonds (distance) C4'-P energy: -9.926
bonds (distance) P-C4' energy: -16.774
flat angles C4'-P-C4' energy: -13.839
flat angles P-C4'-P energy: -6.254
tors. eta vs tors. theta energy: -11.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -86.087523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.087523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.087523 (E_RNA)
where:
Base-Base interactions energy: -31.036
where: short stacking energy: -31.036
Base-Backbone interact. energy: -0.064
local terms energy: -54.987869
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -15.854
flat angles C4'-P-C4' energy: -13.095
flat angles P-C4'-P energy: -3.616
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: 6
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -94.951918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.951918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.951918 (E_RNA)
where:
Base-Base interactions energy: -40.894
where: short stacking energy: -40.169
Base-Backbone interact. energy: 2.278
local terms energy: -56.335935
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -11.737
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -6.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -76.047468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.047468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.047468 (E_RNA)
where:
Base-Base interactions energy: -36.667
where: short stacking energy: -33.619
Base-Backbone interact. energy: -0.144
local terms energy: -39.236349
where:
bonds (distance) C4'-P energy: -9.039
bonds (distance) P-C4' energy: -13.380
flat angles C4'-P-C4' energy: -9.751
flat angles P-C4'-P energy: -3.941
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: 3
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -81.537213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.537213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.537213 (E_RNA)
where:
Base-Base interactions energy: -38.146
where: short stacking energy: -35.810
Base-Backbone interact. energy: -0.015
local terms energy: -43.376960
where:
bonds (distance) C4'-P energy: -14.950
bonds (distance) P-C4' energy: -11.347
flat angles C4'-P-C4' energy: -12.191
flat angles P-C4'-P energy: -1.627
tors. eta vs tors. theta energy: -3.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -205.782502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.782502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.782502 (E_RNA)
where:
Base-Base interactions energy: -137.277
where: short stacking energy: -65.679
Base-Backbone interact. energy: -0.035
local terms energy: -68.470231
where:
bonds (distance) C4'-P energy: -12.701
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -14.695
flat angles P-C4'-P energy: -10.007
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: 2, replica: 9
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -200.564860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.564860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.564860 (E_RNA)
where:
Base-Base interactions energy: -129.733
where: short stacking energy: -63.505
Base-Backbone interact. energy: -0.013
local terms energy: -70.818478
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -16.250
flat angles C4'-P-C4' energy: -13.906
flat angles P-C4'-P energy: -12.771
tors. eta vs tors. theta energy: -14.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -212.265448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.265448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.265448 (E_RNA)
where:
Base-Base interactions energy: -135.919
where: short stacking energy: -67.284
Base-Backbone interact. energy: -0.625
local terms energy: -75.721311
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -18.516
flat angles P-C4'-P energy: -9.144
tors. eta vs tors. theta energy: -20.453
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: 10
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -160.601792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.601792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.601792 (E_RNA)
where:
Base-Base interactions energy: -97.521
where: short stacking energy: -51.061
Base-Backbone interact. energy: -0.324
local terms energy: -62.757116
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -14.179
flat angles P-C4'-P energy: -11.282
tors. eta vs tors. theta energy: -9.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -177.636033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.636033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.636033 (E_RNA)
where:
Base-Base interactions energy: -121.090
where: short stacking energy: -50.737
Base-Backbone interact. energy: 0.889
local terms energy: -57.435659
where:
bonds (distance) C4'-P energy: -12.203
bonds (distance) P-C4' energy: -15.056
flat angles C4'-P-C4' energy: -10.644
flat angles P-C4'-P energy: -7.574
tors. eta vs tors. theta energy: -11.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -165.700141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.700141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.700141 (E_RNA)
where:
Base-Base interactions energy: -100.565
where: short stacking energy: -48.767
Base-Backbone interact. energy: 0.095
local terms energy: -65.229965
where:
bonds (distance) C4'-P energy: -15.454
bonds (distance) P-C4' energy: -13.403
flat angles C4'-P-C4' energy: -13.137
flat angles P-C4'-P energy: -10.672
tors. eta vs tors. theta energy: -12.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -95.626352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.626352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.626352 (E_RNA)
where:
Base-Base interactions energy: -48.152
where: short stacking energy: -37.070
Base-Backbone interact. energy: -0.063
local terms energy: -47.411321
where:
bonds (distance) C4'-P energy: -10.873
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -15.966
flat angles P-C4'-P energy: -6.445
tors. eta vs tors. theta energy: -0.675
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: 8, replica: 8
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -109.612098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.612098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.612098 (E_RNA)
where:
Base-Base interactions energy: -57.242
where: short stacking energy: -56.789
Base-Backbone interact. energy: -0.002
local terms energy: -52.368067
where:
bonds (distance) C4'-P energy: -9.568
bonds (distance) P-C4' energy: -7.888
flat angles C4'-P-C4' energy: -15.162
flat angles P-C4'-P energy: -4.071
tors. eta vs tors. theta energy: -15.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -81.000988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.000988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.000988 (E_RNA)
where:
Base-Base interactions energy: -28.787
where: short stacking energy: -24.511
Base-Backbone interact. energy: -0.129
local terms energy: -52.084954
where:
bonds (distance) C4'-P energy: -12.663
bonds (distance) P-C4' energy: -12.605
flat angles C4'-P-C4' energy: -11.307
flat angles P-C4'-P energy: -11.542
tors. eta vs tors. theta energy: -3.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -87.773246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.773246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.773246 (E_RNA)
where:
Base-Base interactions energy: -32.573
where: short stacking energy: -32.573
Base-Backbone interact. energy: 0.200
local terms energy: -55.400123
where:
bonds (distance) C4'-P energy: -12.561
bonds (distance) P-C4' energy: -11.764
flat angles C4'-P-C4' energy: -13.693
flat angles P-C4'-P energy: -8.756
tors. eta vs tors. theta energy: -8.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -189.451677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.451677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.451677 (E_RNA)
where:
Base-Base interactions energy: -121.935
where: short stacking energy: -59.845
Base-Backbone interact. energy: -0.262
local terms energy: -67.254073
where:
bonds (distance) C4'-P energy: -8.320
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -16.191
flat angles P-C4'-P energy: -14.274
tors. eta vs tors. theta energy: -13.402
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: 2, replica: 5
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -204.575942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.575942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.575942 (E_RNA)
where:
Base-Base interactions energy: -127.793
where: short stacking energy: -68.249
Base-Backbone interact. energy: -0.591
local terms energy: -76.191240
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -17.055
flat angles C4'-P-C4' energy: -14.423
flat angles P-C4'-P energy: -9.768
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: 3, replica: 9
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -187.115531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.115531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.115531 (E_RNA)
where:
Base-Base interactions energy: -124.003
where: short stacking energy: -49.333
Base-Backbone interact. energy: -0.058
local terms energy: -63.054849
where:
bonds (distance) C4'-P energy: -13.571
bonds (distance) P-C4' energy: -13.949
flat angles C4'-P-C4' energy: -12.926
flat angles P-C4'-P energy: -7.871
tors. eta vs tors. theta energy: -14.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -171.433133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.433133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.433133 (E_RNA)
where:
Base-Base interactions energy: -101.757
where: short stacking energy: -56.338
Base-Backbone interact. energy: -0.126
local terms energy: -69.549694
where:
bonds (distance) C4'-P energy: -17.083
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -13.065
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: -13.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -181.151946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.151946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.151946 (E_RNA)
where:
Base-Base interactions energy: -120.288
where: short stacking energy: -52.487
Base-Backbone interact. energy: -0.430
local terms energy: -60.433319
where:
bonds (distance) C4'-P energy: -16.338
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -14.263
flat angles P-C4'-P energy: -10.233
tors. eta vs tors. theta energy: -6.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -170.031150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.031150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.031150 (E_RNA)
where:
Base-Base interactions energy: -107.575
where: short stacking energy: -54.800
Base-Backbone interact. energy: -0.021
local terms energy: -62.435187
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -12.838
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -11.600
tors. eta vs tors. theta energy: -10.001
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: 6
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -84.641952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.641952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.641952 (E_RNA)
where:
Base-Base interactions energy: -32.781
where: short stacking energy: -29.262
Base-Backbone interact. energy: 0.119
local terms energy: -51.979677
where:
bonds (distance) C4'-P energy: -9.240
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -13.935
flat angles P-C4'-P energy: -6.622
tors. eta vs tors. theta energy: -5.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -85.105621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.105621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.105621 (E_RNA)
where:
Base-Base interactions energy: -31.107
where: short stacking energy: -31.107
Base-Backbone interact. energy: -0.201
local terms energy: -53.796941
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -11.479
flat angles P-C4'-P energy: -7.465
tors. eta vs tors. theta energy: -3.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -83.000127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.000127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.000127 (E_RNA)
where:
Base-Base interactions energy: -25.365
where: short stacking energy: -23.940
Base-Backbone interact. energy: -0.064
local terms energy: -57.571503
where:
bonds (distance) C4'-P energy: -13.981
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -16.310
flat angles P-C4'-P energy: -8.849
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: 10, replica: 1
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -76.062047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.062047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.062047 (E_RNA)
where:
Base-Base interactions energy: -28.468
where: short stacking energy: -28.468
Base-Backbone interact. energy: 0.010
local terms energy: -47.604018
where:
bonds (distance) C4'-P energy: -10.893
bonds (distance) P-C4' energy: -13.498
flat angles C4'-P-C4' energy: -11.763
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -0.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -202.654617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.654617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.654617 (E_RNA)
where:
Base-Base interactions energy: -128.446
where: short stacking energy: -73.915
Base-Backbone interact. energy: -0.621
local terms energy: -73.587196
where:
bonds (distance) C4'-P energy: -14.265
bonds (distance) P-C4' energy: -14.246
flat angles C4'-P-C4' energy: -12.260
flat angles P-C4'-P energy: -12.084
tors. eta vs tors. theta energy: -20.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -192.747755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.747755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.747755 (E_RNA)
where:
Base-Base interactions energy: -121.956
where: short stacking energy: -62.816
Base-Backbone interact. energy: -1.316
local terms energy: -69.476518
where:
bonds (distance) C4'-P energy: -12.602
bonds (distance) P-C4' energy: -14.459
flat angles C4'-P-C4' energy: -14.533
flat angles P-C4'-P energy: -12.606
tors. eta vs tors. theta energy: -15.276
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: 3, replica: 10
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -170.432176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.432176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.432176 (E_RNA)
where:
Base-Base interactions energy: -103.487
where: short stacking energy: -59.250
Base-Backbone interact. energy: -0.015
local terms energy: -66.929244
where:
bonds (distance) C4'-P energy: -13.611
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -15.410
flat angles P-C4'-P energy: -13.094
tors. eta vs tors. theta energy: -9.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -173.195809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.195809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.195809 (E_RNA)
where:
Base-Base interactions energy: -105.969
where: short stacking energy: -52.990
Base-Backbone interact. energy: 0.457
local terms energy: -67.683602
where:
bonds (distance) C4'-P energy: -14.596
bonds (distance) P-C4' energy: -14.307
flat angles C4'-P-C4' energy: -15.555
flat angles P-C4'-P energy: -10.171
tors. eta vs tors. theta energy: -13.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -169.285729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.285729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.285729 (E_RNA)
where:
Base-Base interactions energy: -107.042
where: short stacking energy: -57.365
Base-Backbone interact. energy: -0.186
local terms energy: -62.057186
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -14.537
flat angles C4'-P-C4' energy: -14.282
flat angles P-C4'-P energy: -9.698
tors. eta vs tors. theta energy: -10.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -163.732587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.732587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.732587 (E_RNA)
where:
Base-Base interactions energy: -104.156
where: short stacking energy: -43.369
Base-Backbone interact. energy: -0.171
local terms energy: -59.405204
where:
bonds (distance) C4'-P energy: -11.003
bonds (distance) P-C4' energy: -12.964
flat angles C4'-P-C4' energy: -15.730
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: -11.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -89.358335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.358335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.358335 (E_RNA)
where:
Base-Base interactions energy: -34.507
where: short stacking energy: -34.450
Base-Backbone interact. energy: 1.559
local terms energy: -56.410410
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -14.268
flat angles C4'-P-C4' energy: -15.070
flat angles P-C4'-P energy: -6.997
tors. eta vs tors. theta energy: -2.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -91.093541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.093541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.093541 (E_RNA)
where:
Base-Base interactions energy: -37.068
where: short stacking energy: -37.068
Base-Backbone interact. energy: -0.053
local terms energy: -53.972054
where:
bonds (distance) C4'-P energy: -10.663
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -13.930
flat angles P-C4'-P energy: -8.515
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)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -78.624782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.624782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.624782 (E_RNA)
where:
Base-Base interactions energy: -31.068
where: short stacking energy: -28.886
Base-Backbone interact. energy: -0.232
local terms energy: -47.324628
where:
bonds (distance) C4'-P energy: -11.415
bonds (distance) P-C4' energy: -12.412
flat angles C4'-P-C4' energy: -14.484
flat angles P-C4'-P energy: -7.676
tors. eta vs tors. theta energy: -1.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -84.579214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.579214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.579214 (E_RNA)
where:
Base-Base interactions energy: -37.936
where: short stacking energy: -26.244
Base-Backbone interact. energy: 1.156
local terms energy: -47.798782
where:
bonds (distance) C4'-P energy: -15.712
bonds (distance) P-C4' energy: -13.633
flat angles C4'-P-C4' energy: -13.174
flat angles P-C4'-P energy: -8.129
tors. eta vs tors. theta energy: 2.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -220.809207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.809207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.809207 (E_RNA)
where:
Base-Base interactions energy: -134.888
where: short stacking energy: -70.418
Base-Backbone interact. energy: -0.067
local terms energy: -85.853659
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -17.938
flat angles C4'-P-C4' energy: -17.156
flat angles P-C4'-P energy: -11.406
tors. eta vs tors. theta energy: -23.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -184.142736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.142736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.142736 (E_RNA)
where:
Base-Base interactions energy: -121.270
where: short stacking energy: -63.908
Base-Backbone interact. energy: -0.008
local terms energy: -62.864990
where:
bonds (distance) C4'-P energy: -9.923
bonds (distance) P-C4' energy: -12.748
flat angles C4'-P-C4' energy: -15.042
flat angles P-C4'-P energy: -11.449
tors. eta vs tors. theta energy: -13.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -169.130644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.130644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.130644 (E_RNA)
where:
Base-Base interactions energy: -102.845
where: short stacking energy: -54.836
Base-Backbone interact. energy: -0.041
local terms energy: -66.244875
where:
bonds (distance) C4'-P energy: -13.106
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -16.545
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -12.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -168.818525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.818525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.818525 (E_RNA)
where:
Base-Base interactions energy: -108.275
where: short stacking energy: -56.310
Base-Backbone interact. energy: -0.606
local terms energy: -59.937193
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -9.686
flat angles C4'-P-C4' energy: -12.208
flat angles P-C4'-P energy: -10.538
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: 5, replica: 9
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -175.356771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.356771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.356771 (E_RNA)
where:
Base-Base interactions energy: -113.109
where: short stacking energy: -50.824
Base-Backbone interact. energy: -0.012
local terms energy: -62.235765
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -13.581
flat angles P-C4'-P energy: -7.280
tors. eta vs tors. theta energy: -10.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -148.849355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.849355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.849355 (E_RNA)
where:
Base-Base interactions energy: -104.730
where: short stacking energy: -52.814
Base-Backbone interact. energy: -0.222
local terms energy: -43.897381
where:
bonds (distance) C4'-P energy: -8.131
bonds (distance) P-C4' energy: -12.813
flat angles C4'-P-C4' energy: -7.298
flat angles P-C4'-P energy: -8.028
tors. eta vs tors. theta energy: -7.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -92.632051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.632051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.632051 (E_RNA)
where:
Base-Base interactions energy: -34.858
where: short stacking energy: -33.918
Base-Backbone interact. energy: -0.307
local terms energy: -57.466741
where:
bonds (distance) C4'-P energy: -12.309
bonds (distance) P-C4' energy: -14.296
flat angles C4'-P-C4' energy: -14.058
flat angles P-C4'-P energy: -9.501
tors. eta vs tors. theta energy: -7.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -92.014453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.014453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.014453 (E_RNA)
where:
Base-Base interactions energy: -39.264
where: short stacking energy: -38.903
Base-Backbone interact. energy: -0.069
local terms energy: -52.681944
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -11.403
flat angles P-C4'-P energy: -7.797
tors. eta vs tors. theta energy: -5.592
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: 6
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -94.265247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.265247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.265247 (E_RNA)
where:
Base-Base interactions energy: -38.717
where: short stacking energy: -34.827
Base-Backbone interact. energy: -0.031
local terms energy: -55.517675
where:
bonds (distance) C4'-P energy: -13.912
bonds (distance) P-C4' energy: -18.325
flat angles C4'-P-C4' energy: -9.644
flat angles P-C4'-P energy: -5.447
tors. eta vs tors. theta energy: -8.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -79.785914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.785914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.785914 (E_RNA)
where:
Base-Base interactions energy: -35.179
where: short stacking energy: -35.679
Base-Backbone interact. energy: -0.070
local terms energy: -44.537138
where:
bonds (distance) C4'-P energy: -10.120
bonds (distance) P-C4' energy: -13.816
flat angles C4'-P-C4' energy: -11.235
flat angles P-C4'-P energy: -3.764
tors. eta vs tors. theta energy: -5.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -183.071009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.071009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.071009 (E_RNA)
where:
Base-Base interactions energy: -113.228
where: short stacking energy: -58.186
Base-Backbone interact. energy: -0.975
local terms energy: -68.867560
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -16.271
flat angles C4'-P-C4' energy: -13.867
flat angles P-C4'-P energy: -11.220
tors. eta vs tors. theta energy: -13.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -203.740667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.740667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.740667 (E_RNA)
where:
Base-Base interactions energy: -122.464
where: short stacking energy: -60.939
Base-Backbone interact. energy: -1.401
local terms energy: -79.876155
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -17.136
flat angles C4'-P-C4' energy: -15.394
flat angles P-C4'-P energy: -11.648
tors. eta vs tors. theta energy: -18.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -175.478734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.478734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.478734 (E_RNA)
where:
Base-Base interactions energy: -103.709
where: short stacking energy: -49.446
Base-Backbone interact. energy: -0.374
local terms energy: -71.395448
where:
bonds (distance) C4'-P energy: -16.558
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -15.385
flat angles P-C4'-P energy: -8.200
tors. eta vs tors. theta energy: -14.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -157.647107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.647107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.647107 (E_RNA)
where:
Base-Base interactions energy: -98.332
where: short stacking energy: -51.956
Base-Backbone interact. energy: -0.160
local terms energy: -59.155071
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -11.415
flat angles C4'-P-C4' energy: -11.074
flat angles P-C4'-P energy: -12.461
tors. eta vs tors. theta energy: -11.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -160.747664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.747664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.747664 (E_RNA)
where:
Base-Base interactions energy: -103.390
where: short stacking energy: -50.761
Base-Backbone interact. energy: -0.115
local terms energy: -57.243436
where:
bonds (distance) C4'-P energy: -14.957
bonds (distance) P-C4' energy: -11.209
flat angles C4'-P-C4' energy: -13.550
flat angles P-C4'-P energy: -8.495
tors. eta vs tors. theta energy: -9.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -151.759255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.759255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.759255 (E_RNA)
where:
Base-Base interactions energy: -89.058
where: short stacking energy: -55.041
Base-Backbone interact. energy: -0.008
local terms energy: -62.693865
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -10.641
flat angles C4'-P-C4' energy: -15.787
flat angles P-C4'-P energy: -5.562
tors. eta vs tors. theta energy: -13.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -96.559719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.559719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.559719 (E_RNA)
where:
Base-Base interactions energy: -34.311
where: short stacking energy: -33.625
Base-Backbone interact. energy: -0.119
local terms energy: -62.130276
where:
bonds (distance) C4'-P energy: -15.731
bonds (distance) P-C4' energy: -12.320
flat angles C4'-P-C4' energy: -14.543
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: -9.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -86.692196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.692196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.692196 (E_RNA)
where:
Base-Base interactions energy: -27.925
where: short stacking energy: -27.407
Base-Backbone interact. energy: 0.443
local terms energy: -59.209855
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -14.117
flat angles P-C4'-P energy: -11.069
tors. eta vs tors. theta energy: -6.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -90.807311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.807311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.807311 (E_RNA)
where:
Base-Base interactions energy: -39.141
where: short stacking energy: -31.530
Base-Backbone interact. energy: -0.017
local terms energy: -51.649448
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -10.752
flat angles C4'-P-C4' energy: -12.134
flat angles P-C4'-P energy: -6.947
tors. eta vs tors. theta energy: -7.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -88.781839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.781839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.781839 (E_RNA)
where:
Base-Base interactions energy: -39.217
where: short stacking energy: -39.217
Base-Backbone interact. energy: -0.024
local terms energy: -49.540804
where:
bonds (distance) C4'-P energy: -11.191
bonds (distance) P-C4' energy: -14.778
flat angles C4'-P-C4' energy: -12.644
flat angles P-C4'-P energy: -6.120
tors. eta vs tors. theta energy: -4.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -198.550126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.550126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.550126 (E_RNA)
where:
Base-Base interactions energy: -132.144
where: short stacking energy: -62.343
Base-Backbone interact. energy: -0.018
local terms energy: -66.387405
where:
bonds (distance) C4'-P energy: -6.900
bonds (distance) P-C4' energy: -16.655
flat angles C4'-P-C4' energy: -16.208
flat angles P-C4'-P energy: -11.637
tors. eta vs tors. theta energy: -14.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -166.637154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.637154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.637154 (E_RNA)
where:
Base-Base interactions energy: -104.259
where: short stacking energy: -55.397
Base-Backbone interact. energy: -0.312
local terms energy: -62.066262
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -12.922
flat angles C4'-P-C4' energy: -13.756
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: -13.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -211.695886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.695886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.695886 (E_RNA)
where:
Base-Base interactions energy: -136.983
where: short stacking energy: -57.354
Base-Backbone interact. energy: -0.425
local terms energy: -74.287883
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -12.429
flat angles C4'-P-C4' energy: -15.584
flat angles P-C4'-P energy: -11.956
tors. eta vs tors. theta energy: -18.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -174.115440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.115440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.115440 (E_RNA)
where:
Base-Base interactions energy: -111.931
where: short stacking energy: -56.398
Base-Backbone interact. energy: -0.038
local terms energy: -62.146098
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -10.820
flat angles C4'-P-C4' energy: -15.815
flat angles P-C4'-P energy: -11.661
tors. eta vs tors. theta energy: -10.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -164.243532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.243532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.243532 (E_RNA)
where:
Base-Base interactions energy: -102.580
where: short stacking energy: -59.214
Base-Backbone interact. energy: -0.023
local terms energy: -61.640821
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -11.105
flat angles C4'-P-C4' energy: -14.373
flat angles P-C4'-P energy: -4.530
tors. eta vs tors. theta energy: -16.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -148.750116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.750116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.750116 (E_RNA)
where:
Base-Base interactions energy: -93.116
where: short stacking energy: -56.210
Base-Backbone interact. energy: -0.028
local terms energy: -55.605878
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -13.392
flat angles C4'-P-C4' energy: -12.962
flat angles P-C4'-P energy: -8.796
tors. eta vs tors. theta energy: -8.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -100.742060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.742060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.742060 (E_RNA)
where:
Base-Base interactions energy: -45.234
where: short stacking energy: -29.421
Base-Backbone interact. energy: -1.047
local terms energy: -54.460647
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -12.052
flat angles C4'-P-C4' energy: -13.161
flat angles P-C4'-P energy: -8.214
tors. eta vs tors. theta energy: -5.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -86.908231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.908231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.908231 (E_RNA)
where:
Base-Base interactions energy: -43.353
where: short stacking energy: -39.671
Base-Backbone interact. energy: -0.006
local terms energy: -43.549909
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -6.717
flat angles P-C4'-P energy: -2.778
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: 9, replica: 3
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -78.323970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.323970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.323970 (E_RNA)
where:
Base-Base interactions energy: -26.724
where: short stacking energy: -22.337
Base-Backbone interact. energy: -0.065
local terms energy: -51.535080
where:
bonds (distance) C4'-P energy: -13.066
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -15.833
flat angles P-C4'-P energy: -7.003
tors. eta vs tors. theta energy: -0.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -74.858599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.858599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.858599 (E_RNA)
where:
Base-Base interactions energy: -26.798
where: short stacking energy: -23.695
Base-Backbone interact. energy: 0.522
local terms energy: -48.582424
where:
bonds (distance) C4'-P energy: -11.150
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -13.867
flat angles P-C4'-P energy: -7.827
tors. eta vs tors. theta energy: -1.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -200.896332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.896332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.896332 (E_RNA)
where:
Base-Base interactions energy: -131.944
where: short stacking energy: -58.598
Base-Backbone interact. energy: 0.598
local terms energy: -69.549721
where:
bonds (distance) C4'-P energy: -10.369
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -17.822
flat angles P-C4'-P energy: -11.151
tors. eta vs tors. theta energy: -14.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -188.623372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.623372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.623372 (E_RNA)
where:
Base-Base interactions energy: -123.310
where: short stacking energy: -63.614
Base-Backbone interact. energy: -0.184
local terms energy: -65.129908
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -12.536
flat angles C4'-P-C4' energy: -17.346
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -12.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -206.023809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.023809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.023809 (E_RNA)
where:
Base-Base interactions energy: -133.164
where: short stacking energy: -52.948
Base-Backbone interact. energy: -0.001
local terms energy: -72.858570
where:
bonds (distance) C4'-P energy: -14.882
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -16.751
flat angles P-C4'-P energy: -9.528
tors. eta vs tors. theta energy: -16.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -194.773527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.773527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.773527 (E_RNA)
where:
Base-Base interactions energy: -129.604
where: short stacking energy: -55.296
Base-Backbone interact. energy: -0.045
local terms energy: -65.124490
where:
bonds (distance) C4'-P energy: -12.926
bonds (distance) P-C4' energy: -14.475
flat angles C4'-P-C4' energy: -13.455
flat angles P-C4'-P energy: -11.926
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: 5, replica: 9
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -166.544984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.544984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.544984 (E_RNA)
where:
Base-Base interactions energy: -105.362
where: short stacking energy: -50.005
Base-Backbone interact. energy: 1.800
local terms energy: -62.983067
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -12.338
flat angles C4'-P-C4' energy: -13.461
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: -14.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -161.404270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.404270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.404270 (E_RNA)
where:
Base-Base interactions energy: -102.099
where: short stacking energy: -49.537
Base-Backbone interact. energy: 0.289
local terms energy: -59.594668
where:
bonds (distance) C4'-P energy: -11.234
bonds (distance) P-C4' energy: -14.394
flat angles C4'-P-C4' energy: -12.997
flat angles P-C4'-P energy: -8.598
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: 7, replica: 1
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -94.980160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.980160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.980160 (E_RNA)
where:
Base-Base interactions energy: -42.684
where: short stacking energy: -40.893
Base-Backbone interact. energy: -0.102
local terms energy: -52.193540
where:
bonds (distance) C4'-P energy: -9.350
bonds (distance) P-C4' energy: -14.910
flat angles C4'-P-C4' energy: -13.302
flat angles P-C4'-P energy: -2.835
tors. eta vs tors. theta energy: -11.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -87.578235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.578235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.578235 (E_RNA)
where:
Base-Base interactions energy: -34.627
where: short stacking energy: -33.992
Base-Backbone interact. energy: -0.653
local terms energy: -52.298481
where:
bonds (distance) C4'-P energy: -9.681
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -11.095
flat angles P-C4'-P energy: -8.685
tors. eta vs tors. theta energy: -7.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -81.356330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.356330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.356330 (E_RNA)
where:
Base-Base interactions energy: -34.245
where: short stacking energy: -33.252
Base-Backbone interact. energy: -0.110
local terms energy: -47.001545
where:
bonds (distance) C4'-P energy: -5.047
bonds (distance) P-C4' energy: -14.072
flat angles C4'-P-C4' energy: -17.646
flat angles P-C4'-P energy: -8.298
tors. eta vs tors. theta energy: -1.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -78.362384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.362384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.362384 (E_RNA)
where:
Base-Base interactions energy: -31.713
where: short stacking energy: -22.686
Base-Backbone interact. energy: 0.173
local terms energy: -46.822625
where:
bonds (distance) C4'-P energy: -11.184
bonds (distance) P-C4' energy: -15.877
flat angles C4'-P-C4' energy: -14.083
flat angles P-C4'-P energy: -4.113
tors. eta vs tors. theta energy: -1.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -210.439412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.439412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.439412 (E_RNA)
where:
Base-Base interactions energy: -136.156
where: short stacking energy: -60.386
Base-Backbone interact. energy: -0.014
local terms energy: -74.269671
where:
bonds (distance) C4'-P energy: -13.464
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -11.169
tors. eta vs tors. theta energy: -17.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -183.290883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.290883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.290883 (E_RNA)
where:
Base-Base interactions energy: -117.806
where: short stacking energy: -50.428
Base-Backbone interact. energy: 0.167
local terms energy: -65.652428
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -10.840
flat angles C4'-P-C4' energy: -15.746
flat angles P-C4'-P energy: -12.007
tors. eta vs tors. theta energy: -12.022
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: 7
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -185.972639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.972639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.972639 (E_RNA)
where:
Base-Base interactions energy: -117.572
where: short stacking energy: -50.410
Base-Backbone interact. energy: -0.095
local terms energy: -68.305246
where:
bonds (distance) C4'-P energy: -14.891
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -14.210
flat angles P-C4'-P energy: -9.183
tors. eta vs tors. theta energy: -13.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -165.954763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.954763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.954763 (E_RNA)
where:
Base-Base interactions energy: -106.269
where: short stacking energy: -54.347
Base-Backbone interact. energy: -0.044
local terms energy: -59.641178
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -12.642
flat angles C4'-P-C4' energy: -12.227
flat angles P-C4'-P energy: -6.739
tors. eta vs tors. theta energy: -13.837
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: 199
Temperature: 1.100000
Total energy: -172.262847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.262847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.262847 (E_RNA)
where:
Base-Base interactions energy: -114.520
where: short stacking energy: -47.889
Base-Backbone interact. energy: -0.441
local terms energy: -57.301076
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -12.472
flat angles C4'-P-C4' energy: -9.585
flat angles P-C4'-P energy: -9.596
tors. eta vs tors. theta energy: -11.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -97.810996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.810996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.810996 (E_RNA)
where:
Base-Base interactions energy: -43.763
where: short stacking energy: -36.050
Base-Backbone interact. energy: -0.166
local terms energy: -53.881889
where:
bonds (distance) C4'-P energy: -15.799
bonds (distance) P-C4' energy: -11.069
flat angles C4'-P-C4' energy: -11.937
flat angles P-C4'-P energy: -8.390
tors. eta vs tors. theta energy: -6.688
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: 10
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -134.394798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.394798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.394798 (E_RNA)
where:
Base-Base interactions energy: -79.001
where: short stacking energy: -36.136
Base-Backbone interact. energy: -0.073
local terms energy: -55.320590
where:
bonds (distance) C4'-P energy: -14.675
bonds (distance) P-C4' energy: -11.238
flat angles C4'-P-C4' energy: -13.653
flat angles P-C4'-P energy: -8.362
tors. eta vs tors. theta energy: -7.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -93.531035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.531035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.531035 (E_RNA)
where:
Base-Base interactions energy: -39.141
where: short stacking energy: -34.038
Base-Backbone interact. energy: -0.758
local terms energy: -53.631560
where:
bonds (distance) C4'-P energy: -10.753
bonds (distance) P-C4' energy: -11.480
flat angles C4'-P-C4' energy: -16.098
flat angles P-C4'-P energy: -14.202
tors. eta vs tors. theta energy: -1.099
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: 9, replica: 8
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -82.669065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.669065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.669065 (E_RNA)
where:
Base-Base interactions energy: -29.423
where: short stacking energy: -29.281
Base-Backbone interact. energy: -0.079
local terms energy: -53.167075
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -3.854
flat angles P-C4'-P energy: -10.208
tors. eta vs tors. theta energy: -8.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -76.025141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.025141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.025141 (E_RNA)
where:
Base-Base interactions energy: -24.621
where: short stacking energy: -24.621
Base-Backbone interact. energy: -0.209
local terms energy: -51.195250
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -9.934
flat angles P-C4'-P energy: -6.358
tors. eta vs tors. theta energy: -5.345
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: 5
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -196.524009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.524009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.524009 (E_RNA)
where:
Base-Base interactions energy: -126.332
where: short stacking energy: -55.390
Base-Backbone interact. energy: -0.009
local terms energy: -70.182350
where:
bonds (distance) C4'-P energy: -13.638
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -16.400
flat angles P-C4'-P energy: -7.675
tors. eta vs tors. theta energy: -14.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -209.351877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.351877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.351877 (E_RNA)
where:
Base-Base interactions energy: -135.340
where: short stacking energy: -69.217
Base-Backbone interact. energy: -0.094
local terms energy: -73.918485
where:
bonds (distance) C4'-P energy: -15.470
bonds (distance) P-C4' energy: -13.066
flat angles C4'-P-C4' energy: -15.790
flat angles P-C4'-P energy: -8.761
tors. eta vs tors. theta energy: -20.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -169.416563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.416563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.416563 (E_RNA)
where:
Base-Base interactions energy: -101.693
where: short stacking energy: -59.270
Base-Backbone interact. energy: -0.208
local terms energy: -67.515505
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -16.620
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -11.291
tors. eta vs tors. theta energy: -8.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -190.867195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.867195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.867195 (E_RNA)
where:
Base-Base interactions energy: -126.660
where: short stacking energy: -52.882
Base-Backbone interact. energy: -0.130
local terms energy: -64.077429
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -10.526
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: -15.115
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: 1
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -106.785657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.785657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.785657 (E_RNA)
where:
Base-Base interactions energy: -48.395
where: short stacking energy: -45.478
Base-Backbone interact. energy: -0.128
local terms energy: -58.262714
where:
bonds (distance) C4'-P energy: -17.059
bonds (distance) P-C4' energy: -11.328
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -5.915
tors. eta vs tors. theta energy: -10.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -165.224092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.224092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.224092 (E_RNA)
where:
Base-Base interactions energy: -97.555
where: short stacking energy: -56.180
Base-Backbone interact. energy: -0.234
local terms energy: -67.435933
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -11.434
flat angles C4'-P-C4' energy: -15.542
flat angles P-C4'-P energy: -13.689
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: 7, replica: 10
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -140.880097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.880097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.880097 (E_RNA)
where:
Base-Base interactions energy: -79.781
where: short stacking energy: -46.598
Base-Backbone interact. energy: -0.100
local terms energy: -60.998497
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -8.717
flat angles C4'-P-C4' energy: -15.601
flat angles P-C4'-P energy: -11.855
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: 8, replica: 6
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -87.207687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.207687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.207687 (E_RNA)
where:
Base-Base interactions energy: -37.838
where: short stacking energy: -33.402
Base-Backbone interact. energy: -0.381
local terms energy: -48.988698
where:
bonds (distance) C4'-P energy: -11.061
bonds (distance) P-C4' energy: -12.539
flat angles C4'-P-C4' energy: -11.684
flat angles P-C4'-P energy: -10.557
tors. eta vs tors. theta energy: -3.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -76.271279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.271279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.271279 (E_RNA)
where:
Base-Base interactions energy: -30.311
where: short stacking energy: -25.435
Base-Backbone interact. energy: -0.244
local terms energy: -45.716645
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -10.079
flat angles P-C4'-P energy: -7.447
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)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -90.764152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.764152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.764152 (E_RNA)
where:
Base-Base interactions energy: -38.199
where: short stacking energy: -34.441
Base-Backbone interact. energy: -0.621
local terms energy: -51.943994
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -16.923
flat angles C4'-P-C4' energy: -12.401
flat angles P-C4'-P energy: -5.058
tors. eta vs tors. theta energy: -4.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -199.802096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.802096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.802096 (E_RNA)
where:
Base-Base interactions energy: -135.953
where: short stacking energy: -53.050
Base-Backbone interact. energy: -0.044
local terms energy: -63.804655
where:
bonds (distance) C4'-P energy: -13.717
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -15.982
flat angles P-C4'-P energy: -4.875
tors. eta vs tors. theta energy: -16.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -207.012564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.012564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.012564 (E_RNA)
where:
Base-Base interactions energy: -128.663
where: short stacking energy: -66.569
Base-Backbone interact. energy: -0.116
local terms energy: -78.233027
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -10.878
tors. eta vs tors. theta energy: -21.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -164.150264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.150264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.150264 (E_RNA)
where:
Base-Base interactions energy: -96.681
where: short stacking energy: -55.627
Base-Backbone interact. energy: -0.136
local terms energy: -67.332848
where:
bonds (distance) C4'-P energy: -12.247
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -15.031
flat angles P-C4'-P energy: -11.069
tors. eta vs tors. theta energy: -12.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -181.765607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.765607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.765607 (E_RNA)
where:
Base-Base interactions energy: -109.283
where: short stacking energy: -59.798
Base-Backbone interact. energy: 1.885
local terms energy: -74.367548
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -14.841
flat angles P-C4'-P energy: -9.276
tors. eta vs tors. theta energy: -17.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -99.048031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.048031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.048031 (E_RNA)
where:
Base-Base interactions energy: -37.447
where: short stacking energy: -30.517
Base-Backbone interact. energy: -0.126
local terms energy: -61.474508
where:
bonds (distance) C4'-P energy: -15.367
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -11.765
flat angles P-C4'-P energy: -9.032
tors. eta vs tors. theta energy: -9.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -134.684757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.684757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.684757 (E_RNA)
where:
Base-Base interactions energy: -80.383
where: short stacking energy: -38.752
Base-Backbone interact. energy: -0.075
local terms energy: -54.226827
where:
bonds (distance) C4'-P energy: -12.036
bonds (distance) P-C4' energy: -15.946
flat angles C4'-P-C4' energy: -8.590
flat angles P-C4'-P energy: -8.611
tors. eta vs tors. theta energy: -9.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -159.221313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.221313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.221313 (E_RNA)
where:
Base-Base interactions energy: -99.412
where: short stacking energy: -48.338
Base-Backbone interact. energy: -0.001
local terms energy: -59.808480
where:
bonds (distance) C4'-P energy: -13.664
bonds (distance) P-C4' energy: -14.359
flat angles C4'-P-C4' energy: -14.846
flat angles P-C4'-P energy: -10.148
tors. eta vs tors. theta energy: -6.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -102.164474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.164474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.164474 (E_RNA)
where:
Base-Base interactions energy: -40.968
where: short stacking energy: -40.968
Base-Backbone interact. energy: -0.004
local terms energy: -61.192785
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -12.899
flat angles P-C4'-P energy: -11.619
tors. eta vs tors. theta energy: -7.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -81.503752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.503752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.503752 (E_RNA)
where:
Base-Base interactions energy: -30.899
where: short stacking energy: -26.256
Base-Backbone interact. energy: -0.938
local terms energy: -49.666621
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -13.517
flat angles P-C4'-P energy: -4.561
tors. eta vs tors. theta energy: 1.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -82.656164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.656164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.656164 (E_RNA)
where:
Base-Base interactions energy: -35.787
where: short stacking energy: -27.221
Base-Backbone interact. energy: 0.365
local terms energy: -47.234838
where:
bonds (distance) C4'-P energy: -16.192
bonds (distance) P-C4' energy: -10.565
flat angles C4'-P-C4' energy: -9.202
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: -1.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -210.316914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.316914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.316914 (E_RNA)
where:
Base-Base interactions energy: -136.987
where: short stacking energy: -71.342
Base-Backbone interact. energy: -0.000
local terms energy: -73.329232
where:
bonds (distance) C4'-P energy: -17.410
bonds (distance) P-C4' energy: -14.482
flat angles C4'-P-C4' energy: -12.750
flat angles P-C4'-P energy: -8.941
tors. eta vs tors. theta energy: -19.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -208.117063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.117063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.117063 (E_RNA)
where:
Base-Base interactions energy: -137.274
where: short stacking energy: -68.634
Base-Backbone interact. energy: -0.122
local terms energy: -70.720988
where:
bonds (distance) C4'-P energy: -10.071
bonds (distance) P-C4' energy: -15.349
flat angles C4'-P-C4' energy: -16.627
flat angles P-C4'-P energy: -9.238
tors. eta vs tors. theta energy: -19.437
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: 7
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -175.314487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.314487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.314487 (E_RNA)
where:
Base-Base interactions energy: -103.877
where: short stacking energy: -51.322
Base-Backbone interact. energy: -0.040
local terms energy: -71.398338
where:
bonds (distance) C4'-P energy: -15.004
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -16.522
flat angles P-C4'-P energy: -13.026
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: 4, replica: 9
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -167.053453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.053453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.053453 (E_RNA)
where:
Base-Base interactions energy: -106.893
where: short stacking energy: -55.047
Base-Backbone interact. energy: -0.142
local terms energy: -60.019130
where:
bonds (distance) C4'-P energy: -12.694
bonds (distance) P-C4' energy: -16.186
flat angles C4'-P-C4' energy: -11.937
flat angles P-C4'-P energy: -6.785
tors. eta vs tors. theta energy: -12.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -152.150646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.150646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.150646 (E_RNA)
where:
Base-Base interactions energy: -89.981
where: short stacking energy: -48.825
Base-Backbone interact. energy: -0.436
local terms energy: -61.733647
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -10.602
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -8.926
tors. eta vs tors. theta energy: -12.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -104.293629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.293629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.293629 (E_RNA)
where:
Base-Base interactions energy: -41.780
where: short stacking energy: -32.214
Base-Backbone interact. energy: -0.056
local terms energy: -62.458205
where:
bonds (distance) C4'-P energy: -16.983
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -13.249
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -6.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -98.488671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.488671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.488671 (E_RNA)
where:
Base-Base interactions energy: -41.134
where: short stacking energy: -40.971
Base-Backbone interact. energy: -0.530
local terms energy: -56.824233
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -14.181
flat angles P-C4'-P energy: -11.324
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: 8, replica: 4
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -135.776766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.776766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.776766 (E_RNA)
where:
Base-Base interactions energy: -78.790
where: short stacking energy: -37.644
Base-Backbone interact. energy: -0.209
local terms energy: -56.777330
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -13.201
flat angles C4'-P-C4' energy: -11.628
flat angles P-C4'-P energy: -12.628
tors. eta vs tors. theta energy: -6.061
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: 9, replica: 8
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -84.148484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.148484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.148484 (E_RNA)
where:
Base-Base interactions energy: -33.596
where: short stacking energy: -33.273
Base-Backbone interact. energy: -0.294
local terms energy: -50.258830
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -16.855
flat angles C4'-P-C4' energy: -11.617
flat angles P-C4'-P energy: -2.311
tors. eta vs tors. theta energy: -6.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -79.766605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.766605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.766605 (E_RNA)
where:
Base-Base interactions energy: -25.764
where: short stacking energy: -23.345
Base-Backbone interact. energy: -0.104
local terms energy: -53.898904
where:
bonds (distance) C4'-P energy: -7.809
bonds (distance) P-C4' energy: -13.888
flat angles C4'-P-C4' energy: -14.619
flat angles P-C4'-P energy: -6.930
tors. eta vs tors. theta energy: -10.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -207.386857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.386857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.386857 (E_RNA)
where:
Base-Base interactions energy: -133.311
where: short stacking energy: -64.864
Base-Backbone interact. energy: -0.025
local terms energy: -74.050440
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -17.558
flat angles P-C4'-P energy: -8.815
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: 2, replica: 5
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -202.297346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.297346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.297346 (E_RNA)
where:
Base-Base interactions energy: -130.891
where: short stacking energy: -58.655
Base-Backbone interact. energy: -0.012
local terms energy: -71.394455
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -13.449
flat angles C4'-P-C4' energy: -17.644
flat angles P-C4'-P energy: -5.510
tors. eta vs tors. theta energy: -17.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -196.468644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.468644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.468644 (E_RNA)
where:
Base-Base interactions energy: -125.747
where: short stacking energy: -56.595
Base-Backbone interact. energy: 0.772
local terms energy: -71.493280
where:
bonds (distance) C4'-P energy: -11.971
bonds (distance) P-C4' energy: -15.820
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -12.119
tors. eta vs tors. theta energy: -16.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -163.362554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.362554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.362554 (E_RNA)
where:
Base-Base interactions energy: -100.377
where: short stacking energy: -54.874
Base-Backbone interact. energy: -0.029
local terms energy: -62.956801
where:
bonds (distance) C4'-P energy: -10.819
bonds (distance) P-C4' energy: -14.326
flat angles C4'-P-C4' energy: -11.597
flat angles P-C4'-P energy: -10.603
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: 9
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -151.732135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.732135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.732135 (E_RNA)
where:
Base-Base interactions energy: -87.811
where: short stacking energy: -43.735
Base-Backbone interact. energy: -1.186
local terms energy: -62.735526
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -15.027
flat angles C4'-P-C4' energy: -10.268
flat angles P-C4'-P energy: -8.190
tors. eta vs tors. theta energy: -16.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -97.121057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.121057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.121057 (E_RNA)
where:
Base-Base interactions energy: -39.194
where: short stacking energy: -39.194
Base-Backbone interact. energy: -0.194
local terms energy: -57.733538
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -17.171
flat angles C4'-P-C4' energy: -12.089
flat angles P-C4'-P energy: -8.959
tors. eta vs tors. theta energy: -6.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -91.473245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.473245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.473245 (E_RNA)
where:
Base-Base interactions energy: -39.953
where: short stacking energy: -30.431
Base-Backbone interact. energy: -0.556
local terms energy: -50.964582
where:
bonds (distance) C4'-P energy: -8.442
bonds (distance) P-C4' energy: -14.958
flat angles C4'-P-C4' energy: -12.630
flat angles P-C4'-P energy: -9.646
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: 8, replica: 8
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -88.320652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.320652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.320652 (E_RNA)
where:
Base-Base interactions energy: -36.510
where: short stacking energy: -21.764
Base-Backbone interact. energy: -0.064
local terms energy: -51.746243
where:
bonds (distance) C4'-P energy: -13.245
bonds (distance) P-C4' energy: -16.730
flat angles C4'-P-C4' energy: -11.965
flat angles P-C4'-P energy: -9.417
tors. eta vs tors. theta energy: -0.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -90.104836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.104836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.104836 (E_RNA)
where:
Base-Base interactions energy: -34.806
where: short stacking energy: -34.551
Base-Backbone interact. energy: 0.894
local terms energy: -56.192661
where:
bonds (distance) C4'-P energy: -13.842
bonds (distance) P-C4' energy: -16.537
flat angles C4'-P-C4' energy: -9.422
flat angles P-C4'-P energy: -10.864
tors. eta vs tors. theta energy: -5.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -80.841460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.841460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.841460 (E_RNA)
where:
Base-Base interactions energy: -37.607
where: short stacking energy: -24.970
Base-Backbone interact. energy: -0.144
local terms energy: -43.089996
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -14.853
flat angles C4'-P-C4' energy: -7.923
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: 0.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -210.161771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.161771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.161771 (E_RNA)
where:
Base-Base interactions energy: -137.133
where: short stacking energy: -66.687
Base-Backbone interact. energy: -0.420
local terms energy: -72.608334
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -14.208
flat angles P-C4'-P energy: -10.276
tors. eta vs tors. theta energy: -18.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -202.284061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.284061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.284061 (E_RNA)
where:
Base-Base interactions energy: -125.241
where: short stacking energy: -56.329
Base-Backbone interact. energy: -0.007
local terms energy: -77.035908
where:
bonds (distance) C4'-P energy: -14.679
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -13.693
flat angles P-C4'-P energy: -10.231
tors. eta vs tors. theta energy: -20.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -195.821706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.821706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.821706 (E_RNA)
where:
Base-Base interactions energy: -136.216
where: short stacking energy: -64.866
Base-Backbone interact. energy: -0.267
local terms energy: -59.338786
where:
bonds (distance) C4'-P energy: -10.646
bonds (distance) P-C4' energy: -12.721
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -6.589
tors. eta vs tors. theta energy: -14.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -177.264314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.264314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.264314 (E_RNA)
where:
Base-Base interactions energy: -107.186
where: short stacking energy: -57.314
Base-Backbone interact. energy: -0.186
local terms energy: -69.892326
where:
bonds (distance) C4'-P energy: -13.720
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -16.212
flat angles P-C4'-P energy: -7.422
tors. eta vs tors. theta energy: -16.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -166.071160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.071160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.071160 (E_RNA)
where:
Base-Base interactions energy: -100.557
where: short stacking energy: -48.430
Base-Backbone interact. energy: -0.025
local terms energy: -65.488800
where:
bonds (distance) C4'-P energy: -14.756
bonds (distance) P-C4' energy: -13.525
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -9.686
tors. eta vs tors. theta energy: -15.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -101.765165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.765165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.765165 (E_RNA)
where:
Base-Base interactions energy: -47.101
where: short stacking energy: -46.177
Base-Backbone interact. energy: -0.010
local terms energy: -54.653818
where:
bonds (distance) C4'-P energy: -10.837
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -12.923
flat angles P-C4'-P energy: -7.046
tors. eta vs tors. theta energy: -8.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -101.060613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.060613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.060613 (E_RNA)
where:
Base-Base interactions energy: -36.921
where: short stacking energy: -29.901
Base-Backbone interact. energy: -0.014
local terms energy: -64.125243
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -15.673
flat angles P-C4'-P energy: -8.645
tors. eta vs tors. theta energy: -8.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -101.257772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.257772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.257772 (E_RNA)
where:
Base-Base interactions energy: -37.677
where: short stacking energy: -36.296
Base-Backbone interact. energy: 0.034
local terms energy: -63.614467
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -10.558
tors. eta vs tors. theta energy: -7.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -84.343908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.343908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.343908 (E_RNA)
where:
Base-Base interactions energy: -28.040
where: short stacking energy: -25.138
Base-Backbone interact. energy: 0.812
local terms energy: -57.115573
where:
bonds (distance) C4'-P energy: -10.740
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -16.182
flat angles P-C4'-P energy: -8.922
tors. eta vs tors. theta energy: -6.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -86.988403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.988403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.988403 (E_RNA)
where:
Base-Base interactions energy: -30.189
where: short stacking energy: -30.189
Base-Backbone interact. energy: -1.041
local terms energy: -55.758597
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -10.763
flat angles C4'-P-C4' energy: -13.513
flat angles P-C4'-P energy: -13.409
tors. eta vs tors. theta energy: -2.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -210.419511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.419511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.419511 (E_RNA)
where:
Base-Base interactions energy: -137.747
where: short stacking energy: -60.977
Base-Backbone interact. energy: -0.109
local terms energy: -72.563995
where:
bonds (distance) C4'-P energy: -16.276
bonds (distance) P-C4' energy: -12.724
flat angles C4'-P-C4' energy: -13.865
flat angles P-C4'-P energy: -11.273
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: 5
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -199.462736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.462736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.462736 (E_RNA)
where:
Base-Base interactions energy: -125.701
where: short stacking energy: -58.439
Base-Backbone interact. energy: -0.089
local terms energy: -73.672774
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -14.746
flat angles C4'-P-C4' energy: -14.989
flat angles P-C4'-P energy: -11.704
tors. eta vs tors. theta energy: -17.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -161.473402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.473402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.473402 (E_RNA)
where:
Base-Base interactions energy: -106.232
where: short stacking energy: -40.400
Base-Backbone interact. energy: -0.973
local terms energy: -54.268481
where:
bonds (distance) C4'-P energy: -11.868
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -15.716
flat angles P-C4'-P energy: -8.482
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: 4, replica: 9
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -186.178253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.178253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.178253 (E_RNA)
where:
Base-Base interactions energy: -113.629
where: short stacking energy: -58.293
Base-Backbone interact. energy: -0.039
local terms energy: -72.511041
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -15.217
flat angles P-C4'-P energy: -10.437
tors. eta vs tors. theta energy: -15.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -159.048330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.048330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.048330 (E_RNA)
where:
Base-Base interactions energy: -92.972
where: short stacking energy: -48.898
Base-Backbone interact. energy: -0.126
local terms energy: -65.950003
where:
bonds (distance) C4'-P energy: -12.016
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -15.889
flat angles P-C4'-P energy: -8.614
tors. eta vs tors. theta energy: -14.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -96.100764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.100764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.100764 (E_RNA)
where:
Base-Base interactions energy: -39.797
where: short stacking energy: -30.375
Base-Backbone interact. energy: -0.438
local terms energy: -55.865204
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -11.563
flat angles P-C4'-P energy: -11.671
tors. eta vs tors. theta energy: -2.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -93.459838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.459838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.459838 (E_RNA)
where:
Base-Base interactions energy: -39.551
where: short stacking energy: -38.557
Base-Backbone interact. energy: -0.061
local terms energy: -53.847737
where:
bonds (distance) C4'-P energy: -10.353
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -15.056
flat angles P-C4'-P energy: -8.011
tors. eta vs tors. theta energy: -6.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -101.126925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.126925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.126925 (E_RNA)
where:
Base-Base interactions energy: -50.699
where: short stacking energy: -40.004
Base-Backbone interact. energy: -0.083
local terms energy: -50.344799
where:
bonds (distance) C4'-P energy: -10.687
bonds (distance) P-C4' energy: -12.418
flat angles C4'-P-C4' energy: -16.700
flat angles P-C4'-P energy: -4.363
tors. eta vs tors. theta energy: -6.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -82.162188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.162188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.162188 (E_RNA)
where:
Base-Base interactions energy: -27.850
where: short stacking energy: -23.354
Base-Backbone interact. energy: -0.084
local terms energy: -54.228817
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -13.586
flat angles P-C4'-P energy: -9.778
tors. eta vs tors. theta energy: -3.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -76.613336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.613336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.613336 (E_RNA)
where:
Base-Base interactions energy: -22.743
where: short stacking energy: -22.743
Base-Backbone interact. energy: -0.107
local terms energy: -53.763687
where:
bonds (distance) C4'-P energy: -14.671
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -8.254
tors. eta vs tors. theta energy: -1.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -202.622896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.622896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.622896 (E_RNA)
where:
Base-Base interactions energy: -131.905
where: short stacking energy: -70.201
Base-Backbone interact. energy: -0.473
local terms energy: -70.245518
where:
bonds (distance) C4'-P energy: -11.110
bonds (distance) P-C4' energy: -17.432
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -10.795
tors. eta vs tors. theta energy: -16.283
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: 5
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -190.268748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.268748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.268748 (E_RNA)
where:
Base-Base interactions energy: -123.082
where: short stacking energy: -63.396
Base-Backbone interact. energy: 0.086
local terms energy: -67.272635
where:
bonds (distance) C4'-P energy: -14.145
bonds (distance) P-C4' energy: -13.886
flat angles C4'-P-C4' energy: -13.947
flat angles P-C4'-P energy: -5.502
tors. eta vs tors. theta energy: -19.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -190.403599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.403599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.403599 (E_RNA)
where:
Base-Base interactions energy: -126.084
where: short stacking energy: -62.546
Base-Backbone interact. energy: -0.025
local terms energy: -64.294573
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -17.001
flat angles P-C4'-P energy: -7.468
tors. eta vs tors. theta energy: -12.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -148.558237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.558237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.558237 (E_RNA)
where:
Base-Base interactions energy: -95.124
where: short stacking energy: -46.869
Base-Backbone interact. energy: 0.223
local terms energy: -53.656867
where:
bonds (distance) C4'-P energy: -11.539
bonds (distance) P-C4' energy: -16.537
flat angles C4'-P-C4' energy: -11.727
flat angles P-C4'-P energy: -6.185
tors. eta vs tors. theta energy: -7.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -165.379589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.379589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.379589 (E_RNA)
where:
Base-Base interactions energy: -106.253
where: short stacking energy: -53.453
Base-Backbone interact. energy: -0.150
local terms energy: -58.976243
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -12.282
flat angles P-C4'-P energy: -7.202
tors. eta vs tors. theta energy: -9.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -108.697423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.697423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.697423 (E_RNA)
where:
Base-Base interactions energy: -49.571
where: short stacking energy: -49.571
Base-Backbone interact. energy: -0.003
local terms energy: -59.123558
where:
bonds (distance) C4'-P energy: -13.664
bonds (distance) P-C4' energy: -10.874
flat angles C4'-P-C4' energy: -13.304
flat angles P-C4'-P energy: -9.176
tors. eta vs tors. theta energy: -12.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -89.291701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.291701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.291701 (E_RNA)
where:
Base-Base interactions energy: -33.186
where: short stacking energy: -19.055
Base-Backbone interact. energy: -0.272
local terms energy: -55.833914
where:
bonds (distance) C4'-P energy: -10.249
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -14.257
flat angles P-C4'-P energy: -7.224
tors. eta vs tors. theta energy: -7.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -85.906453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.906453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.906453 (E_RNA)
where:
Base-Base interactions energy: -33.472
where: short stacking energy: -29.509
Base-Backbone interact. energy: 1.243
local terms energy: -53.677999
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -14.470
flat angles P-C4'-P energy: -8.086
tors. eta vs tors. theta energy: -1.691
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: 6
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -79.693673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.693673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.693673 (E_RNA)
where:
Base-Base interactions energy: -30.631
where: short stacking energy: -25.842
Base-Backbone interact. energy: 0.481
local terms energy: -49.543874
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -13.523
flat angles C4'-P-C4' energy: -13.596
flat angles P-C4'-P energy: -6.771
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: 10, replica: 4
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -86.253164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.253164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.253164 (E_RNA)
where:
Base-Base interactions energy: -28.455
where: short stacking energy: -24.525
Base-Backbone interact. energy: 0.535
local terms energy: -58.333101
where:
bonds (distance) C4'-P energy: -17.162
bonds (distance) P-C4' energy: -15.390
flat angles C4'-P-C4' energy: -10.932
flat angles P-C4'-P energy: -9.978
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: 1, replica: 2
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -208.274726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.274726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.274726 (E_RNA)
where:
Base-Base interactions energy: -141.715
where: short stacking energy: -63.765
Base-Backbone interact. energy: -0.688
local terms energy: -65.871445
where:
bonds (distance) C4'-P energy: -16.534
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -9.655
flat angles P-C4'-P energy: -8.138
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: 2, replica: 9
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -187.614265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.614265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.614265 (E_RNA)
where:
Base-Base interactions energy: -115.012
where: short stacking energy: -64.484
Base-Backbone interact. energy: -0.679
local terms energy: -71.923291
where:
bonds (distance) C4'-P energy: -14.884
bonds (distance) P-C4' energy: -17.017
flat angles C4'-P-C4' energy: -11.120
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -18.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -206.300486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.300486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.300486 (E_RNA)
where:
Base-Base interactions energy: -134.990
where: short stacking energy: -62.385
Base-Backbone interact. energy: -0.007
local terms energy: -71.303373
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -15.453
flat angles P-C4'-P energy: -7.994
tors. eta vs tors. theta energy: -19.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -162.530508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.530508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.530508 (E_RNA)
where:
Base-Base interactions energy: -97.590
where: short stacking energy: -44.350
Base-Backbone interact. energy: -0.367
local terms energy: -64.574272
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -17.085
flat angles P-C4'-P energy: -9.889
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: 5, replica: 10
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -148.806264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.806264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.806264 (E_RNA)
where:
Base-Base interactions energy: -89.067
where: short stacking energy: -51.764
Base-Backbone interact. energy: -0.073
local terms energy: -59.667163
where:
bonds (distance) C4'-P energy: -16.679
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -12.094
flat angles P-C4'-P energy: -7.900
tors. eta vs tors. theta energy: -6.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -105.009964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.009964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.009964 (E_RNA)
where:
Base-Base interactions energy: -44.808
where: short stacking energy: -41.642
Base-Backbone interact. energy: -0.178
local terms energy: -60.024456
where:
bonds (distance) C4'-P energy: -13.654
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -14.916
flat angles P-C4'-P energy: -7.033
tors. eta vs tors. theta energy: -9.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -84.880019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.880019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.880019 (E_RNA)
where:
Base-Base interactions energy: -28.621
where: short stacking energy: -26.119
Base-Backbone interact. energy: -0.169
local terms energy: -56.090086
where:
bonds (distance) C4'-P energy: -15.495
bonds (distance) P-C4' energy: -17.947
flat angles C4'-P-C4' energy: -11.164
flat angles P-C4'-P energy: -8.373
tors. eta vs tors. theta energy: -3.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -99.031751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.031751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.031751 (E_RNA)
where:
Base-Base interactions energy: -49.166
where: short stacking energy: -42.238
Base-Backbone interact. energy: -0.227
local terms energy: -49.638383
where:
bonds (distance) C4'-P energy: -12.489
bonds (distance) P-C4' energy: -9.781
flat angles C4'-P-C4' energy: -10.458
flat angles P-C4'-P energy: -6.779
tors. eta vs tors. theta energy: -10.133
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: 8
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -80.289071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.289071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.289071 (E_RNA)
where:
Base-Base interactions energy: -28.001
where: short stacking energy: -25.197
Base-Backbone interact. energy: -1.317
local terms energy: -50.970775
where:
bonds (distance) C4'-P energy: -10.759
bonds (distance) P-C4' energy: -17.296
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -5.527
tors. eta vs tors. theta energy: -3.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -77.932600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.932600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.932600 (E_RNA)
where:
Base-Base interactions energy: -30.353
where: short stacking energy: -29.199
Base-Backbone interact. energy: 1.188
local terms energy: -48.767540
where:
bonds (distance) C4'-P energy: -17.381
bonds (distance) P-C4' energy: -13.863
flat angles C4'-P-C4' energy: -8.820
flat angles P-C4'-P energy: -4.456
tors. eta vs tors. theta energy: -4.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -207.742413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.742413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.742413 (E_RNA)
where:
Base-Base interactions energy: -135.338
where: short stacking energy: -57.281
Base-Backbone interact. energy: -0.059
local terms energy: -72.345719
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -17.382
flat angles C4'-P-C4' energy: -14.568
flat angles P-C4'-P energy: -12.758
tors. eta vs tors. theta energy: -12.102
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: 2, replica: 9
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -182.224475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.224475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.224475 (E_RNA)
where:
Base-Base interactions energy: -112.878
where: short stacking energy: -61.861
Base-Backbone interact. energy: -0.116
local terms energy: -69.230336
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -14.925
flat angles P-C4'-P energy: -12.899
tors. eta vs tors. theta energy: -13.396
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: 5
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -206.907622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.907622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.907622 (E_RNA)
where:
Base-Base interactions energy: -133.176
where: short stacking energy: -71.015
Base-Backbone interact. energy: 1.405
local terms energy: -75.136108
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -11.747
tors. eta vs tors. theta energy: -22.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -170.870081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.870081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.870081 (E_RNA)
where:
Base-Base interactions energy: -105.340
where: short stacking energy: -61.672
Base-Backbone interact. energy: -0.135
local terms energy: -65.394771
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -15.116
flat angles C4'-P-C4' energy: -11.613
flat angles P-C4'-P energy: -11.116
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: 5, replica: 10
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -131.700013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.700013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.700013 (E_RNA)
where:
Base-Base interactions energy: -71.879
where: short stacking energy: -46.125
Base-Backbone interact. energy: -0.189
local terms energy: -59.631869
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -12.982
flat angles P-C4'-P energy: -9.698
tors. eta vs tors. theta energy: -6.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -99.853511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.853511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.853511 (E_RNA)
where:
Base-Base interactions energy: -39.811
where: short stacking energy: -37.878
Base-Backbone interact. energy: -0.611
local terms energy: -59.432005
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -17.617
flat angles P-C4'-P energy: -8.157
tors. eta vs tors. theta energy: -5.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -102.213919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.213919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.213919 (E_RNA)
where:
Base-Base interactions energy: -52.007
where: short stacking energy: -39.968
Base-Backbone interact. energy: -0.097
local terms energy: -50.109275
where:
bonds (distance) C4'-P energy: -12.320
bonds (distance) P-C4' energy: -9.096
flat angles C4'-P-C4' energy: -11.194
flat angles P-C4'-P energy: -9.961
tors. eta vs tors. theta energy: -7.538
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: 3
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -80.546010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.546010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.546010 (E_RNA)
where:
Base-Base interactions energy: -26.444
where: short stacking energy: -26.444
Base-Backbone interact. energy: 1.649
local terms energy: -55.750972
where:
bonds (distance) C4'-P energy: -13.471
bonds (distance) P-C4' energy: -14.053
flat angles C4'-P-C4' energy: -15.860
flat angles P-C4'-P energy: -10.929
tors. eta vs tors. theta energy: -1.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -82.814141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.814141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.814141 (E_RNA)
where:
Base-Base interactions energy: -34.726
where: short stacking energy: -20.898
Base-Backbone interact. energy: -1.418
local terms energy: -46.670898
where:
bonds (distance) C4'-P energy: -9.478
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -13.260
flat angles P-C4'-P energy: -6.358
tors. eta vs tors. theta energy: 0.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -70.377513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.377513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.377513 (E_RNA)
where:
Base-Base interactions energy: -25.270
where: short stacking energy: -22.661
Base-Backbone interact. energy: -0.322
local terms energy: -44.785399
where:
bonds (distance) C4'-P energy: -13.732
bonds (distance) P-C4' energy: -7.881
flat angles C4'-P-C4' energy: -16.170
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: 2.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -203.870726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.870726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.870726 (E_RNA)
where:
Base-Base interactions energy: -129.169
where: short stacking energy: -60.039
Base-Backbone interact. energy: -1.029
local terms energy: -73.672831
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -14.167
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -17.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -210.739578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.739578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.739578 (E_RNA)
where:
Base-Base interactions energy: -134.499
where: short stacking energy: -69.119
Base-Backbone interact. energy: -0.001
local terms energy: -76.239593
where:
bonds (distance) C4'-P energy: -15.370
bonds (distance) P-C4' energy: -17.675
flat angles C4'-P-C4' energy: -15.724
flat angles P-C4'-P energy: -5.785
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: 3, replica: 9
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -200.719186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.719186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.719186 (E_RNA)
where:
Base-Base interactions energy: -129.906
where: short stacking energy: -58.954
Base-Backbone interact. energy: -0.082
local terms energy: -70.731086
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -15.042
flat angles C4'-P-C4' energy: -15.528
flat angles P-C4'-P energy: -11.617
tors. eta vs tors. theta energy: -15.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -160.697252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.697252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.697252 (E_RNA)
where:
Base-Base interactions energy: -98.499
where: short stacking energy: -56.476
Base-Backbone interact. energy: -0.199
local terms energy: -61.999334
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -13.612
flat angles P-C4'-P energy: -11.843
tors. eta vs tors. theta energy: -11.385
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: 7
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -167.904062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.904062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.904062 (E_RNA)
where:
Base-Base interactions energy: -109.080
where: short stacking energy: -57.346
Base-Backbone interact. energy: -0.316
local terms energy: -58.508240
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -12.623
flat angles C4'-P-C4' energy: -13.561
flat angles P-C4'-P energy: -7.298
tors. eta vs tors. theta energy: -12.305
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: 6
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -89.110683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.110683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.110683 (E_RNA)
where:
Base-Base interactions energy: -30.716
where: short stacking energy: -30.604
Base-Backbone interact. energy: -0.078
local terms energy: -58.317176
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -9.353
flat angles P-C4'-P energy: -12.399
tors. eta vs tors. theta energy: -2.919
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: 1
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -94.369113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.369113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.369113 (E_RNA)
where:
Base-Base interactions energy: -44.987
where: short stacking energy: -40.300
Base-Backbone interact. energy: -0.029
local terms energy: -49.352495
where:
bonds (distance) C4'-P energy: -9.658
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -11.302
flat angles P-C4'-P energy: -6.688
tors. eta vs tors. theta energy: -5.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -89.877597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.877597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.877597 (E_RNA)
where:
Base-Base interactions energy: -41.690
where: short stacking energy: -33.228
Base-Backbone interact. energy: -0.157
local terms energy: -48.030853
where:
bonds (distance) C4'-P energy: -6.825
bonds (distance) P-C4' energy: -12.615
flat angles C4'-P-C4' energy: -15.146
flat angles P-C4'-P energy: -8.941
tors. eta vs tors. theta energy: -4.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -86.196145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.196145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.196145 (E_RNA)
where:
Base-Base interactions energy: -35.309
where: short stacking energy: -34.837
Base-Backbone interact. energy: -0.220
local terms energy: -50.667103
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -10.315
flat angles C4'-P-C4' energy: -15.666
flat angles P-C4'-P energy: -7.912
tors. eta vs tors. theta energy: -3.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -83.004301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.004301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.004301 (E_RNA)
where:
Base-Base interactions energy: -39.164
where: short stacking energy: -35.590
Base-Backbone interact. energy: -0.078
local terms energy: -43.762346
where:
bonds (distance) C4'-P energy: -8.290
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -14.836
flat angles P-C4'-P energy: -4.121
tors. eta vs tors. theta energy: -3.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -208.618862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.618862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.618862 (E_RNA)
where:
Base-Base interactions energy: -144.532
where: short stacking energy: -62.673
Base-Backbone interact. energy: -0.084
local terms energy: -64.003033
where:
bonds (distance) C4'-P energy: -9.469
bonds (distance) P-C4' energy: -14.079
flat angles C4'-P-C4' energy: -12.778
flat angles P-C4'-P energy: -9.492
tors. eta vs tors. theta energy: -18.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -204.242835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.242835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.242835 (E_RNA)
where:
Base-Base interactions energy: -135.979
where: short stacking energy: -67.168
Base-Backbone interact. energy: -0.001
local terms energy: -68.261982
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -11.511
flat angles C4'-P-C4' energy: -16.044
flat angles P-C4'-P energy: -7.489
tors. eta vs tors. theta energy: -20.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -180.692917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.692917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.692917 (E_RNA)
where:
Base-Base interactions energy: -110.907
where: short stacking energy: -64.191
Base-Backbone interact. energy: -0.003
local terms energy: -69.783452
where:
bonds (distance) C4'-P energy: -12.946
bonds (distance) P-C4' energy: -14.411
flat angles C4'-P-C4' energy: -17.664
flat angles P-C4'-P energy: -10.820
tors. eta vs tors. theta energy: -13.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -167.883259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.883259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.883259 (E_RNA)
where:
Base-Base interactions energy: -109.732
where: short stacking energy: -56.303
Base-Backbone interact. energy: -0.133
local terms energy: -58.017877
where:
bonds (distance) C4'-P energy: -11.164
bonds (distance) P-C4' energy: -14.298
flat angles C4'-P-C4' energy: -12.836
flat angles P-C4'-P energy: -5.025
tors. eta vs tors. theta energy: -14.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -167.581480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.581480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.581480 (E_RNA)
where:
Base-Base interactions energy: -98.815
where: short stacking energy: -49.524
Base-Backbone interact. energy: -0.208
local terms energy: -68.558260
where:
bonds (distance) C4'-P energy: -13.297
bonds (distance) P-C4' energy: -16.025
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -8.049
tors. eta vs tors. theta energy: -15.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -98.333505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.333505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.333505 (E_RNA)
where:
Base-Base interactions energy: -43.547
where: short stacking energy: -42.453
Base-Backbone interact. energy: 0.479
local terms energy: -55.265007
where:
bonds (distance) C4'-P energy: -13.044
bonds (distance) P-C4' energy: -12.872
flat angles C4'-P-C4' energy: -15.368
flat angles P-C4'-P energy: -8.506
tors. eta vs tors. theta energy: -5.475
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: 3
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -93.334743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.334743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.334743 (E_RNA)
where:
Base-Base interactions energy: -43.121
where: short stacking energy: -26.496
Base-Backbone interact. energy: -0.107
local terms energy: -50.106731
where:
bonds (distance) C4'-P energy: -8.129
bonds (distance) P-C4' energy: -12.706
flat angles C4'-P-C4' energy: -14.049
flat angles P-C4'-P energy: -10.722
tors. eta vs tors. theta energy: -4.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -83.689961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.689961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.689961 (E_RNA)
where:
Base-Base interactions energy: -28.862
where: short stacking energy: -24.242
Base-Backbone interact. energy: -0.096
local terms energy: -54.732517
where:
bonds (distance) C4'-P energy: -13.456
bonds (distance) P-C4' energy: -11.041
flat angles C4'-P-C4' energy: -12.090
flat angles P-C4'-P energy: -8.722
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: 9, replica: 8
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -79.950002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.950002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.950002 (E_RNA)
where:
Base-Base interactions energy: -32.766
where: short stacking energy: -32.313
Base-Backbone interact. energy: -0.002
local terms energy: -47.181912
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -10.179
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -0.215
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: 10, replica: 4
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -84.281860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.281860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.281860 (E_RNA)
where:
Base-Base interactions energy: -30.902
where: short stacking energy: -30.902
Base-Backbone interact. energy: -0.022
local terms energy: -53.357819
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -9.544
flat angles C4'-P-C4' energy: -9.859
flat angles P-C4'-P energy: -9.510
tors. eta vs tors. theta energy: -10.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -211.287456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.287456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.287456 (E_RNA)
where:
Base-Base interactions energy: -150.038
where: short stacking energy: -53.918
Base-Backbone interact. energy: -0.338
local terms energy: -60.911028
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -12.123
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -6.659
tors. eta vs tors. theta energy: -12.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -201.747354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.747354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.747354 (E_RNA)
where:
Base-Base interactions energy: -126.997
where: short stacking energy: -61.155
Base-Backbone interact. energy: -0.009
local terms energy: -74.741386
where:
bonds (distance) C4'-P energy: -16.310
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -15.348
flat angles P-C4'-P energy: -9.197
tors. eta vs tors. theta energy: -19.674
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: 211
Temperature: 1.000000
Total energy: -177.637788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.637788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.637788 (E_RNA)
where:
Base-Base interactions energy: -115.553
where: short stacking energy: -42.288
Base-Backbone interact. energy: -0.474
local terms energy: -61.610812
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -15.665
flat angles C4'-P-C4' energy: -11.024
flat angles P-C4'-P energy: -11.974
tors. eta vs tors. theta energy: -6.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -179.297217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.297217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.297217 (E_RNA)
where:
Base-Base interactions energy: -114.959
where: short stacking energy: -55.552
Base-Backbone interact. energy: -0.013
local terms energy: -64.324976
where:
bonds (distance) C4'-P energy: -14.220
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -6.536
tors. eta vs tors. theta energy: -11.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -147.446419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.446419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.446419 (E_RNA)
where:
Base-Base interactions energy: -84.867
where: short stacking energy: -45.395
Base-Backbone interact. energy: -0.967
local terms energy: -61.611863
where:
bonds (distance) C4'-P energy: -13.880
bonds (distance) P-C4' energy: -12.908
flat angles C4'-P-C4' energy: -15.742
flat angles P-C4'-P energy: -8.859
tors. eta vs tors. theta energy: -10.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -108.119137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.119137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.119137 (E_RNA)
where:
Base-Base interactions energy: -50.424
where: short stacking energy: -42.111
Base-Backbone interact. energy: -0.084
local terms energy: -57.611161
where:
bonds (distance) C4'-P energy: -13.763
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -14.197
flat angles P-C4'-P energy: -8.654
tors. eta vs tors. theta energy: -4.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -88.954343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.954343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.954343 (E_RNA)
where:
Base-Base interactions energy: -29.961
where: short stacking energy: -29.961
Base-Backbone interact. energy: -0.052
local terms energy: -58.941149
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -15.272
flat angles C4'-P-C4' energy: -10.169
flat angles P-C4'-P energy: -10.118
tors. eta vs tors. theta energy: -6.427
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: 211
Temperature: 1.250000
Total energy: -86.431457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.431457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.431457 (E_RNA)
where:
Base-Base interactions energy: -34.394
where: short stacking energy: -31.641
Base-Backbone interact. energy: -0.207
local terms energy: -51.830806
where:
bonds (distance) C4'-P energy: -8.910
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -11.532
flat angles P-C4'-P energy: -9.873
tors. eta vs tors. theta energy: -5.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -80.190586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.190586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.190586 (E_RNA)
where:
Base-Base interactions energy: -32.071
where: short stacking energy: -30.858
Base-Backbone interact. energy: -0.147
local terms energy: -47.972994
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -12.507
flat angles C4'-P-C4' energy: -10.030
flat angles P-C4'-P energy: -8.686
tors. eta vs tors. theta energy: -3.421
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: 4
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -72.145299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.145299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.145299 (E_RNA)
where:
Base-Base interactions energy: -33.376
where: short stacking energy: -24.351
Base-Backbone interact. energy: 0.378
local terms energy: -39.147079
where:
bonds (distance) C4'-P energy: -13.893
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -9.399
flat angles P-C4'-P energy: -5.230
tors. eta vs tors. theta energy: 3.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -208.663429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.663429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.663429 (E_RNA)
where:
Base-Base interactions energy: -131.574
where: short stacking energy: -72.206
Base-Backbone interact. energy: -0.371
local terms energy: -76.717942
where:
bonds (distance) C4'-P energy: -12.353
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -17.759
flat angles P-C4'-P energy: -7.090
tors. eta vs tors. theta energy: -23.004
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: 2
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -213.058246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.058246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.058246 (E_RNA)
where:
Base-Base interactions energy: -143.908
where: short stacking energy: -50.853
Base-Backbone interact. energy: -0.788
local terms energy: -68.361967
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -12.933
flat angles P-C4'-P energy: -13.356
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: 3, replica: 7
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -183.027433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.027433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.027433 (E_RNA)
where:
Base-Base interactions energy: -118.896
where: short stacking energy: -51.220
Base-Backbone interact. energy: -0.654
local terms energy: -63.476787
where:
bonds (distance) C4'-P energy: -12.438
bonds (distance) P-C4' energy: -16.360
flat angles C4'-P-C4' energy: -12.401
flat angles P-C4'-P energy: -11.626
tors. eta vs tors. theta energy: -10.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -186.491316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.491316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.491316 (E_RNA)
where:
Base-Base interactions energy: -114.329
where: short stacking energy: -58.565
Base-Backbone interact. energy: -0.276
local terms energy: -71.885693
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -11.341
flat angles C4'-P-C4' energy: -15.336
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: -20.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -170.269730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.269730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.269730 (E_RNA)
where:
Base-Base interactions energy: -101.122
where: short stacking energy: -51.669
Base-Backbone interact. energy: -0.152
local terms energy: -68.994973
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -14.485
flat angles P-C4'-P energy: -11.142
tors. eta vs tors. theta energy: -12.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -101.208832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.208832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.208832 (E_RNA)
where:
Base-Base interactions energy: -41.651
where: short stacking energy: -40.263
Base-Backbone interact. energy: -0.010
local terms energy: -59.547601
where:
bonds (distance) C4'-P energy: -10.688
bonds (distance) P-C4' energy: -15.593
flat angles C4'-P-C4' energy: -10.858
flat angles P-C4'-P energy: -9.679
tors. eta vs tors. theta energy: -12.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -88.950006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.950006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.950006 (E_RNA)
where:
Base-Base interactions energy: -38.815
where: short stacking energy: -35.280
Base-Backbone interact. energy: -0.238
local terms energy: -49.896898
where:
bonds (distance) C4'-P energy: -7.635
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -10.341
flat angles P-C4'-P energy: -13.000
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: 8, replica: 6
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -81.700367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.700367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.700367 (E_RNA)
where:
Base-Base interactions energy: -30.810
where: short stacking energy: -28.465
Base-Backbone interact. energy: -0.037
local terms energy: -50.853404
where:
bonds (distance) C4'-P energy: -15.697
bonds (distance) P-C4' energy: -14.178
flat angles C4'-P-C4' energy: -13.997
flat angles P-C4'-P energy: -9.882
tors. eta vs tors. theta energy: 2.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -76.421117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.421117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.421117 (E_RNA)
where:
Base-Base interactions energy: -36.010
where: short stacking energy: -30.566
Base-Backbone interact. energy: -0.362
local terms energy: -40.049627
where:
bonds (distance) C4'-P energy: -10.864
bonds (distance) P-C4' energy: -12.120
flat angles C4'-P-C4' energy: -9.948
flat angles P-C4'-P energy: -7.717
tors. eta vs tors. theta energy: 0.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -77.911232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.911232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.911232 (E_RNA)
where:
Base-Base interactions energy: -29.565
where: short stacking energy: -24.254
Base-Backbone interact. energy: -0.032
local terms energy: -48.314358
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -15.325
flat angles P-C4'-P energy: -2.201
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: 1, replica: 5
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -211.058308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.058308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.058308 (E_RNA)
where:
Base-Base interactions energy: -137.226
where: short stacking energy: -69.145
Base-Backbone interact. energy: 0.024
local terms energy: -73.855726
where:
bonds (distance) C4'-P energy: -14.915
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -17.670
flat angles P-C4'-P energy: -7.096
tors. eta vs tors. theta energy: -19.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -192.758655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.758655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.758655 (E_RNA)
where:
Base-Base interactions energy: -121.951
where: short stacking energy: -61.646
Base-Backbone interact. energy: -0.093
local terms energy: -70.715494
where:
bonds (distance) C4'-P energy: -12.709
bonds (distance) P-C4' energy: -14.340
flat angles C4'-P-C4' energy: -13.680
flat angles P-C4'-P energy: -12.798
tors. eta vs tors. theta energy: -17.188
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: 3, replica: 7
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -176.832502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.832502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.832502 (E_RNA)
where:
Base-Base interactions energy: -110.167
where: short stacking energy: -52.775
Base-Backbone interact. energy: -0.165
local terms energy: -66.500578
where:
bonds (distance) C4'-P energy: -13.652
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -10.332
flat angles P-C4'-P energy: -11.705
tors. eta vs tors. theta energy: -15.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -165.588737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.588737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.588737 (E_RNA)
where:
Base-Base interactions energy: -101.470
where: short stacking energy: -55.354
Base-Backbone interact. energy: -0.455
local terms energy: -63.663258
where:
bonds (distance) C4'-P energy: -14.735
bonds (distance) P-C4' energy: -13.728
flat angles C4'-P-C4' energy: -12.798
flat angles P-C4'-P energy: -9.498
tors. eta vs tors. theta energy: -12.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -111.233305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.233305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.233305 (E_RNA)
where:
Base-Base interactions energy: -52.784
where: short stacking energy: -32.504
Base-Backbone interact. energy: -0.139
local terms energy: -58.309774
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -14.403
flat angles P-C4'-P energy: -10.497
tors. eta vs tors. theta energy: -5.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -110.291543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.291543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.291543 (E_RNA)
where:
Base-Base interactions energy: -57.675
where: short stacking energy: -37.705
Base-Backbone interact. energy: -0.209
local terms energy: -52.407874
where:
bonds (distance) C4'-P energy: -10.924
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -8.703
flat angles P-C4'-P energy: -12.142
tors. eta vs tors. theta energy: -5.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -94.529045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.529045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.529045 (E_RNA)
where:
Base-Base interactions energy: -37.619
where: short stacking energy: -31.696
Base-Backbone interact. energy: -0.199
local terms energy: -56.711394
where:
bonds (distance) C4'-P energy: -16.952
bonds (distance) P-C4' energy: -14.068
flat angles C4'-P-C4' energy: -9.162
flat angles P-C4'-P energy: -12.264
tors. eta vs tors. theta energy: -4.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -81.124648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.124648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.124648 (E_RNA)
where:
Base-Base interactions energy: -30.564
where: short stacking energy: -26.006
Base-Backbone interact. energy: -0.374
local terms energy: -50.186628
where:
bonds (distance) C4'-P energy: -11.084
bonds (distance) P-C4' energy: -16.927
flat angles C4'-P-C4' energy: -13.651
flat angles P-C4'-P energy: -9.908
tors. eta vs tors. theta energy: 1.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -92.100763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.100763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.100763 (E_RNA)
where:
Base-Base interactions energy: -40.591
where: short stacking energy: -35.303
Base-Backbone interact. energy: -0.197
local terms energy: -51.312774
where:
bonds (distance) C4'-P energy: -14.661
bonds (distance) P-C4' energy: -16.454
flat angles C4'-P-C4' energy: -11.409
flat angles P-C4'-P energy: -5.235
tors. eta vs tors. theta energy: -3.555
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: 8
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -66.262040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.262040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.262040 (E_RNA)
where:
Base-Base interactions energy: -17.806
where: short stacking energy: -16.982
Base-Backbone interact. energy: -0.056
local terms energy: -48.399286
where:
bonds (distance) C4'-P energy: -8.511
bonds (distance) P-C4' energy: -15.717
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -8.027
tors. eta vs tors. theta energy: -1.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -214.987973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.987973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.987973 (E_RNA)
where:
Base-Base interactions energy: -140.256
where: short stacking energy: -73.336
Base-Backbone interact. energy: -0.000
local terms energy: -74.731317
where:
bonds (distance) C4'-P energy: -10.849
bonds (distance) P-C4' energy: -13.231
flat angles C4'-P-C4' energy: -17.637
flat angles P-C4'-P energy: -11.856
tors. eta vs tors. theta energy: -21.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -204.817142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.817142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.817142 (E_RNA)
where:
Base-Base interactions energy: -133.197
where: short stacking energy: -73.059
Base-Backbone interact. energy: -0.002
local terms energy: -71.618082
where:
bonds (distance) C4'-P energy: -17.459
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -14.600
flat angles P-C4'-P energy: -7.053
tors. eta vs tors. theta energy: -17.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -187.860374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.860374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.860374 (E_RNA)
where:
Base-Base interactions energy: -126.061
where: short stacking energy: -49.083
Base-Backbone interact. energy: -0.015
local terms energy: -61.784589
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -16.036
flat angles C4'-P-C4' energy: -11.785
flat angles P-C4'-P energy: -5.544
tors. eta vs tors. theta energy: -14.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -192.661876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.661876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.661876 (E_RNA)
where:
Base-Base interactions energy: -130.361
where: short stacking energy: -53.486
Base-Backbone interact. energy: 1.083
local terms energy: -63.384294
where:
bonds (distance) C4'-P energy: -11.718
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -16.631
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: -8.177
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: 5, replica: 10
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -116.232252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.232252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.232252 (E_RNA)
where:
Base-Base interactions energy: -61.730
where: short stacking energy: -40.819
Base-Backbone interact. energy: -0.390
local terms energy: -54.112001
where:
bonds (distance) C4'-P energy: -10.497
bonds (distance) P-C4' energy: -13.640
flat angles C4'-P-C4' energy: -12.133
flat angles P-C4'-P energy: -7.047
tors. eta vs tors. theta energy: -10.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -105.991881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.991881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.991881 (E_RNA)
where:
Base-Base interactions energy: -47.514
where: short stacking energy: -30.619
Base-Backbone interact. energy: -0.076
local terms energy: -58.402069
where:
bonds (distance) C4'-P energy: -17.149
bonds (distance) P-C4' energy: -13.511
flat angles C4'-P-C4' energy: -14.856
flat angles P-C4'-P energy: -9.627
tors. eta vs tors. theta energy: -3.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -89.681166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.681166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.681166 (E_RNA)
where:
Base-Base interactions energy: -35.884
where: short stacking energy: -33.996
Base-Backbone interact. energy: -0.438
local terms energy: -53.358869
where:
bonds (distance) C4'-P energy: -8.153
bonds (distance) P-C4' energy: -15.366
flat angles C4'-P-C4' energy: -13.192
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -6.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -90.681659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.681659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.681659 (E_RNA)
where:
Base-Base interactions energy: -38.378
where: short stacking energy: -29.632
Base-Backbone interact. energy: -0.048
local terms energy: -52.255775
where:
bonds (distance) C4'-P energy: -6.788
bonds (distance) P-C4' energy: -12.293
flat angles C4'-P-C4' energy: -15.850
flat angles P-C4'-P energy: -12.790
tors. eta vs tors. theta energy: -4.535
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: 8
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -83.591650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.591650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.591650 (E_RNA)
where:
Base-Base interactions energy: -25.966
where: short stacking energy: -24.121
Base-Backbone interact. energy: 0.364
local terms energy: -57.990304
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -14.333
flat angles P-C4'-P energy: -11.428
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: 10, replica: 6
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -82.001527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.001527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.001527 (E_RNA)
where:
Base-Base interactions energy: -44.078
where: short stacking energy: -23.452
Base-Backbone interact. energy: -0.191
local terms energy: -37.732438
where:
bonds (distance) C4'-P energy: -9.161
bonds (distance) P-C4' energy: -14.587
flat angles C4'-P-C4' energy: -8.218
flat angles P-C4'-P energy: -4.037
tors. eta vs tors. theta energy: -1.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -216.757387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.757387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.757387 (E_RNA)
where:
Base-Base interactions energy: -136.271
where: short stacking energy: -70.322
Base-Backbone interact. energy: -0.001
local terms energy: -80.485087
where:
bonds (distance) C4'-P energy: -16.566
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -16.750
flat angles P-C4'-P energy: -9.428
tors. eta vs tors. theta energy: -21.066
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: 9
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -181.264401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.264401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.264401 (E_RNA)
where:
Base-Base interactions energy: -111.103
where: short stacking energy: -51.294
Base-Backbone interact. energy: -0.364
local terms energy: -69.797521
where:
bonds (distance) C4'-P energy: -18.064
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -15.361
flat angles P-C4'-P energy: -9.317
tors. eta vs tors. theta energy: -11.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -194.503212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.503212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.503212 (E_RNA)
where:
Base-Base interactions energy: -121.560
where: short stacking energy: -62.645
Base-Backbone interact. energy: -0.001
local terms energy: -72.941391
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -13.580
flat angles C4'-P-C4' energy: -13.796
flat angles P-C4'-P energy: -14.666
tors. eta vs tors. theta energy: -16.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -172.148693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.148693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.148693 (E_RNA)
where:
Base-Base interactions energy: -116.133
where: short stacking energy: -50.459
Base-Backbone interact. energy: -0.143
local terms energy: -55.872311
where:
bonds (distance) C4'-P energy: -13.842
bonds (distance) P-C4' energy: -12.562
flat angles C4'-P-C4' energy: -12.445
flat angles P-C4'-P energy: -6.529
tors. eta vs tors. theta energy: -10.495
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: 10
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -98.367663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.367663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.367663 (E_RNA)
where:
Base-Base interactions energy: -39.513
where: short stacking energy: -38.448
Base-Backbone interact. energy: 0.580
local terms energy: -59.434999
where:
bonds (distance) C4'-P energy: -11.691
bonds (distance) P-C4' energy: -16.143
flat angles C4'-P-C4' energy: -17.057
flat angles P-C4'-P energy: -10.148
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: 6, replica: 4
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -94.318355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.318355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.318355 (E_RNA)
where:
Base-Base interactions energy: -49.473
where: short stacking energy: -31.401
Base-Backbone interact. energy: -0.106
local terms energy: -44.740027
where:
bonds (distance) C4'-P energy: -13.204
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -9.608
flat angles P-C4'-P energy: -8.854
tors. eta vs tors. theta energy: 1.970
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: 1
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -92.152683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.152683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.152683 (E_RNA)
where:
Base-Base interactions energy: -34.925
where: short stacking energy: -21.914
Base-Backbone interact. energy: -0.073
local terms energy: -57.154401
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -12.172
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: -1.283
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: 8
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -92.856726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.856726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.856726 (E_RNA)
where:
Base-Base interactions energy: -43.447
where: short stacking energy: -38.288
Base-Backbone interact. energy: -0.147
local terms energy: -49.263297
where:
bonds (distance) C4'-P energy: -14.201
bonds (distance) P-C4' energy: -16.272
flat angles C4'-P-C4' energy: -2.703
flat angles P-C4'-P energy: -8.865
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: 9, replica: 3
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -78.820729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.820729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.820729 (E_RNA)
where:
Base-Base interactions energy: -29.594
where: short stacking energy: -25.948
Base-Backbone interact. energy: -0.315
local terms energy: -48.911656
where:
bonds (distance) C4'-P energy: -11.068
bonds (distance) P-C4' energy: -13.004
flat angles C4'-P-C4' energy: -14.338
flat angles P-C4'-P energy: -7.430
tors. eta vs tors. theta energy: -3.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -85.808848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.808848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.808848 (E_RNA)
where:
Base-Base interactions energy: -31.755
where: short stacking energy: -30.139
Base-Backbone interact. energy: 0.144
local terms energy: -54.197446
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -13.675
flat angles C4'-P-C4' energy: -13.184
flat angles P-C4'-P energy: -9.073
tors. eta vs tors. theta energy: -4.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -212.018899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.018899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.018899 (E_RNA)
where:
Base-Base interactions energy: -142.386
where: short stacking energy: -72.885
Base-Backbone interact. energy: -0.240
local terms energy: -69.392948
where:
bonds (distance) C4'-P energy: -8.610
bonds (distance) P-C4' energy: -17.999
flat angles C4'-P-C4' energy: -14.960
flat angles P-C4'-P energy: -6.484
tors. eta vs tors. theta energy: -21.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -209.632659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.632659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.632659 (E_RNA)
where:
Base-Base interactions energy: -139.287
where: short stacking energy: -61.064
Base-Backbone interact. energy: -0.087
local terms energy: -70.258901
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -14.970
flat angles C4'-P-C4' energy: -15.131
flat angles P-C4'-P energy: -9.687
tors. eta vs tors. theta energy: -15.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -191.684178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.684178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.684178 (E_RNA)
where:
Base-Base interactions energy: -129.501
where: short stacking energy: -65.427
Base-Backbone interact. energy: -0.103
local terms energy: -62.080103
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -10.310
flat angles C4'-P-C4' energy: -15.631
flat angles P-C4'-P energy: -7.986
tors. eta vs tors. theta energy: -12.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -190.641190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.641190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.641190 (E_RNA)
where:
Base-Base interactions energy: -128.738
where: short stacking energy: -62.628
Base-Backbone interact. energy: -0.012
local terms energy: -61.890672
where:
bonds (distance) C4'-P energy: -12.933
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -10.111
flat angles P-C4'-P energy: -7.459
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: 5, replica: 10
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -98.986954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.986954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.986954 (E_RNA)
where:
Base-Base interactions energy: -48.608
where: short stacking energy: -34.824
Base-Backbone interact. energy: -0.317
local terms energy: -50.062030
where:
bonds (distance) C4'-P energy: -10.549
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -15.206
flat angles P-C4'-P energy: -7.404
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: 6, replica: 4
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -105.549623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.549623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.549623 (E_RNA)
where:
Base-Base interactions energy: -47.226
where: short stacking energy: -29.706
Base-Backbone interact. energy: -0.167
local terms energy: -58.156370
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -15.949
flat angles P-C4'-P energy: -7.828
tors. eta vs tors. theta energy: -3.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -90.683915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.683915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.683915 (E_RNA)
where:
Base-Base interactions energy: -38.251
where: short stacking energy: -32.869
Base-Backbone interact. energy: -0.202
local terms energy: -52.231007
where:
bonds (distance) C4'-P energy: -11.396
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -11.739
flat angles P-C4'-P energy: -9.766
tors. eta vs tors. theta energy: -4.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -95.661099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.661099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.661099 (E_RNA)
where:
Base-Base interactions energy: -43.441
where: short stacking energy: -39.508
Base-Backbone interact. energy: -0.194
local terms energy: -52.026621
where:
bonds (distance) C4'-P energy: -14.437
bonds (distance) P-C4' energy: -10.973
flat angles C4'-P-C4' energy: -14.439
flat angles P-C4'-P energy: -9.721
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: 9, replica: 3
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -96.030974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.030974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.030974 (E_RNA)
where:
Base-Base interactions energy: -53.458
where: short stacking energy: -32.371
Base-Backbone interact. energy: -0.913
local terms energy: -41.659477
where:
bonds (distance) C4'-P energy: -11.189
bonds (distance) P-C4' energy: -11.885
flat angles C4'-P-C4' energy: -12.101
flat angles P-C4'-P energy: -4.988
tors. eta vs tors. theta energy: -1.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -75.238071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.238071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.238071 (E_RNA)
where:
Base-Base interactions energy: -29.176
where: short stacking energy: -29.176
Base-Backbone interact. energy: -0.078
local terms energy: -45.983621
where:
bonds (distance) C4'-P energy: -10.195
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -12.231
flat angles P-C4'-P energy: -4.703
tors. eta vs tors. theta energy: -2.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -214.600916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.600916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.600916 (E_RNA)
where:
Base-Base interactions energy: -133.678
where: short stacking energy: -69.996
Base-Backbone interact. energy: -0.344
local terms energy: -80.578362
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -16.264
flat angles C4'-P-C4' energy: -14.640
flat angles P-C4'-P energy: -11.395
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: 2, replica: 7
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -208.252613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.252613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.252613 (E_RNA)
where:
Base-Base interactions energy: -134.415
where: short stacking energy: -68.711
Base-Backbone interact. energy: 0.023
local terms energy: -73.861185
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -13.892
flat angles C4'-P-C4' energy: -11.714
flat angles P-C4'-P energy: -10.404
tors. eta vs tors. theta energy: -21.989
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: 9
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -204.869893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.869893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.869893 (E_RNA)
where:
Base-Base interactions energy: -137.419
where: short stacking energy: -58.465
Base-Backbone interact. energy: -0.042
local terms energy: -67.408924
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -14.611
flat angles C4'-P-C4' energy: -12.879
flat angles P-C4'-P energy: -13.865
tors. eta vs tors. theta energy: -13.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -176.300681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.300681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.300681 (E_RNA)
where:
Base-Base interactions energy: -115.806
where: short stacking energy: -57.168
Base-Backbone interact. energy: 0.001
local terms energy: -60.495506
where:
bonds (distance) C4'-P energy: -11.158
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -15.465
flat angles P-C4'-P energy: -5.758
tors. eta vs tors. theta energy: -11.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -116.114536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.114536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.114536 (E_RNA)
where:
Base-Base interactions energy: -58.689
where: short stacking energy: -35.267
Base-Backbone interact. energy: -0.929
local terms energy: -56.497080
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -12.184
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: -5.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -104.020216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.020216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.020216 (E_RNA)
where:
Base-Base interactions energy: -49.645
where: short stacking energy: -47.390
Base-Backbone interact. energy: -0.029
local terms energy: -54.345831
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -14.314
flat angles P-C4'-P energy: -5.169
tors. eta vs tors. theta energy: -6.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -90.853570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.853570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.853570 (E_RNA)
where:
Base-Base interactions energy: -45.772
where: short stacking energy: -29.680
Base-Backbone interact. energy: -0.261
local terms energy: -44.820550
where:
bonds (distance) C4'-P energy: -6.961
bonds (distance) P-C4' energy: -17.389
flat angles C4'-P-C4' energy: -15.205
flat angles P-C4'-P energy: -2.803
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: 3
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -96.783352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.783352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.783352 (E_RNA)
where:
Base-Base interactions energy: -42.189
where: short stacking energy: -35.677
Base-Backbone interact. energy: -0.934
local terms energy: -53.659995
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -16.317
flat angles C4'-P-C4' energy: -10.609
flat angles P-C4'-P energy: -9.645
tors. eta vs tors. theta energy: -3.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -88.882040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.882040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.882040 (E_RNA)
where:
Base-Base interactions energy: -38.861
where: short stacking energy: -38.817
Base-Backbone interact. energy: -0.244
local terms energy: -49.776670
where:
bonds (distance) C4'-P energy: -11.483
bonds (distance) P-C4' energy: -12.547
flat angles C4'-P-C4' energy: -11.258
flat angles P-C4'-P energy: -8.268
tors. eta vs tors. theta energy: -6.220
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: 10, replica: 6
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -69.117505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.117505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.117505 (E_RNA)
where:
Base-Base interactions energy: -28.975
where: short stacking energy: -25.563
Base-Backbone interact. energy: -0.396
local terms energy: -39.746514
where:
bonds (distance) C4'-P energy: -7.785
bonds (distance) P-C4' energy: -12.094
flat angles C4'-P-C4' energy: -10.614
flat angles P-C4'-P energy: -7.605
tors. eta vs tors. theta energy: -1.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -210.753741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.753741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.753741 (E_RNA)
where:
Base-Base interactions energy: -140.161
where: short stacking energy: -59.495
Base-Backbone interact. energy: -0.015
local terms energy: -70.578481
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -16.048
flat angles C4'-P-C4' energy: -15.214
flat angles P-C4'-P energy: -7.670
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: 2, replica: 5
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -207.930564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.930564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.930564 (E_RNA)
where:
Base-Base interactions energy: -131.242
where: short stacking energy: -58.641
Base-Backbone interact. energy: -0.002
local terms energy: -76.686330
where:
bonds (distance) C4'-P energy: -16.301
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -15.894
flat angles P-C4'-P energy: -5.384
tors. eta vs tors. theta energy: -21.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -194.644096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.644096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.644096 (E_RNA)
where:
Base-Base interactions energy: -129.246
where: short stacking energy: -48.680
Base-Backbone interact. energy: -0.114
local terms energy: -65.283806
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -15.879
flat angles P-C4'-P energy: -6.706
tors. eta vs tors. theta energy: -14.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -191.657745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.657745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.657745 (E_RNA)
where:
Base-Base interactions energy: -121.029
where: short stacking energy: -47.708
Base-Backbone interact. energy: -1.256
local terms energy: -69.372965
where:
bonds (distance) C4'-P energy: -11.498
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -15.368
flat angles P-C4'-P energy: -12.547
tors. eta vs tors. theta energy: -14.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -125.053102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.053102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.053102 (E_RNA)
where:
Base-Base interactions energy: -62.651
where: short stacking energy: -50.631
Base-Backbone interact. energy: -0.006
local terms energy: -62.396838
where:
bonds (distance) C4'-P energy: -11.840
bonds (distance) P-C4' energy: -12.476
flat angles C4'-P-C4' energy: -15.719
flat angles P-C4'-P energy: -9.660
tors. eta vs tors. theta energy: -12.701
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: 10
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -112.134029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.134029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.134029 (E_RNA)
where:
Base-Base interactions energy: -50.882
where: short stacking energy: -47.054
Base-Backbone interact. energy: -0.906
local terms energy: -60.346248
where:
bonds (distance) C4'-P energy: -12.453
bonds (distance) P-C4' energy: -16.105
flat angles C4'-P-C4' energy: -15.140
flat angles P-C4'-P energy: -6.336
tors. eta vs tors. theta energy: -10.313
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: 8
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -99.335935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.335935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.335935 (E_RNA)
where:
Base-Base interactions energy: -39.514
where: short stacking energy: -29.698
Base-Backbone interact. energy: -0.215
local terms energy: -59.607185
where:
bonds (distance) C4'-P energy: -13.667
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -14.586
flat angles P-C4'-P energy: -12.644
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)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -83.533414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.533414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.533414 (E_RNA)
where:
Base-Base interactions energy: -38.709
where: short stacking energy: -26.142
Base-Backbone interact. energy: 1.192
local terms energy: -46.015969
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -13.415
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -3.422
tors. eta vs tors. theta energy: -1.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -87.606043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.606043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.606043 (E_RNA)
where:
Base-Base interactions energy: -39.807
where: short stacking energy: -31.089
Base-Backbone interact. energy: -0.349
local terms energy: -47.449477
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -11.573
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -1.132
tors. eta vs tors. theta energy: -6.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -83.440410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.440410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.440410 (E_RNA)
where:
Base-Base interactions energy: -27.735
where: short stacking energy: -27.735
Base-Backbone interact. energy: 0.388
local terms energy: -56.092902
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -14.533
flat angles P-C4'-P energy: -7.027
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: 1, replica: 7
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -217.855796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.855796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.855796 (E_RNA)
where:
Base-Base interactions energy: -141.935
where: short stacking energy: -64.679
Base-Backbone interact. energy: -0.289
local terms energy: -75.632472
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -12.866
flat angles C4'-P-C4' energy: -17.317
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: -21.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -208.250794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.250794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.250794 (E_RNA)
where:
Base-Base interactions energy: -141.256
where: short stacking energy: -63.220
Base-Backbone interact. energy: -0.142
local terms energy: -66.852826
where:
bonds (distance) C4'-P energy: -12.656
bonds (distance) P-C4' energy: -12.797
flat angles C4'-P-C4' energy: -13.916
flat angles P-C4'-P energy: -9.057
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: 3, replica: 5
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -196.687017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.687017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.687017 (E_RNA)
where:
Base-Base interactions energy: -117.940
where: short stacking energy: -69.788
Base-Backbone interact. energy: -1.548
local terms energy: -77.199393
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -14.949
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: -24.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -191.287219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.287219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.287219 (E_RNA)
where:
Base-Base interactions energy: -116.027
where: short stacking energy: -62.246
Base-Backbone interact. energy: -0.002
local terms energy: -75.258059
where:
bonds (distance) C4'-P energy: -14.542
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -13.857
flat angles P-C4'-P energy: -11.794
tors. eta vs tors. theta energy: -17.105
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: 219
Temperature: 1.100000
Total energy: -107.823416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.823416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.823416 (E_RNA)
where:
Base-Base interactions energy: -48.124
where: short stacking energy: -45.678
Base-Backbone interact. energy: -0.401
local terms energy: -59.297865
where:
bonds (distance) C4'-P energy: -13.116
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -15.854
flat angles P-C4'-P energy: -7.832
tors. eta vs tors. theta energy: -8.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -142.637236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.637236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.637236 (E_RNA)
where:
Base-Base interactions energy: -85.792
where: short stacking energy: -47.099
Base-Backbone interact. energy: -0.153
local terms energy: -56.691687
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -11.436
tors. eta vs tors. theta energy: -4.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -91.130958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.130958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.130958 (E_RNA)
where:
Base-Base interactions energy: -44.103
where: short stacking energy: -30.710
Base-Backbone interact. energy: -0.783
local terms energy: -46.244682
where:
bonds (distance) C4'-P energy: -7.150
bonds (distance) P-C4' energy: -17.613
flat angles C4'-P-C4' energy: -14.100
flat angles P-C4'-P energy: -5.463
tors. eta vs tors. theta energy: -1.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -100.659073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.659073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.659073 (E_RNA)
where:
Base-Base interactions energy: -42.014
where: short stacking energy: -35.049
Base-Backbone interact. energy: -0.244
local terms energy: -58.400387
where:
bonds (distance) C4'-P energy: -10.816
bonds (distance) P-C4' energy: -16.903
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -11.877
tors. eta vs tors. theta energy: -4.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -80.216024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.216024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.216024 (E_RNA)
where:
Base-Base interactions energy: -27.838
where: short stacking energy: -28.138
Base-Backbone interact. energy: 0.143
local terms energy: -52.520906
where:
bonds (distance) C4'-P energy: -13.046
bonds (distance) P-C4' energy: -13.133
flat angles C4'-P-C4' energy: -15.946
flat angles P-C4'-P energy: -8.584
tors. eta vs tors. theta energy: -1.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -88.002484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.002484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.002484 (E_RNA)
where:
Base-Base interactions energy: -39.483
where: short stacking energy: -39.483
Base-Backbone interact. energy: -0.269
local terms energy: -48.250643
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -10.202
flat angles P-C4'-P energy: -2.910
tors. eta vs tors. theta energy: -7.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -216.122209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.122209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.122209 (E_RNA)
where:
Base-Base interactions energy: -143.149
where: short stacking energy: -74.504
Base-Backbone interact. energy: -0.047
local terms energy: -72.926208
where:
bonds (distance) C4'-P energy: -15.131
bonds (distance) P-C4' energy: -13.841
flat angles C4'-P-C4' energy: -13.370
flat angles P-C4'-P energy: -10.253
tors. eta vs tors. theta energy: -20.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -202.684374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.684374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.684374 (E_RNA)
where:
Base-Base interactions energy: -131.198
where: short stacking energy: -61.364
Base-Backbone interact. energy: 0.718
local terms energy: -72.204339
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -13.979
flat angles P-C4'-P energy: -12.169
tors. eta vs tors. theta energy: -15.802
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: 3, replica: 9
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -204.365675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.365675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.365675 (E_RNA)
where:
Base-Base interactions energy: -142.999
where: short stacking energy: -49.961
Base-Backbone interact. energy: -0.773
local terms energy: -60.594510
where:
bonds (distance) C4'-P energy: -10.704
bonds (distance) P-C4' energy: -10.301
flat angles C4'-P-C4' energy: -16.922
flat angles P-C4'-P energy: -8.394
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: 220
Temperature: 1.050000
Total energy: -184.620543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.620543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.620543 (E_RNA)
where:
Base-Base interactions energy: -119.905
where: short stacking energy: -60.039
Base-Backbone interact. energy: -0.005
local terms energy: -64.709755
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -7.265
flat angles C4'-P-C4' energy: -15.959
flat angles P-C4'-P energy: -9.662
tors. eta vs tors. theta energy: -17.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -156.032135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.032135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.032135 (E_RNA)
where:
Base-Base interactions energy: -87.063
where: short stacking energy: -53.631
Base-Backbone interact. energy: -0.939
local terms energy: -68.030665
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -14.896
flat angles P-C4'-P energy: -11.920
tors. eta vs tors. theta energy: -15.536
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: 6, replica: 4
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -110.386148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.386148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.386148 (E_RNA)
where:
Base-Base interactions energy: -46.172
where: short stacking energy: -39.501
Base-Backbone interact. energy: -0.023
local terms energy: -64.191005
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -16.120
flat angles C4'-P-C4' energy: -14.472
flat angles P-C4'-P energy: -11.820
tors. eta vs tors. theta energy: -6.593
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: 7, replica: 3
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -101.675278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.675278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.675278 (E_RNA)
where:
Base-Base interactions energy: -43.204
where: short stacking energy: -32.923
Base-Backbone interact. energy: -0.980
local terms energy: -57.491567
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -14.414
flat angles C4'-P-C4' energy: -13.782
flat angles P-C4'-P energy: -13.944
tors. eta vs tors. theta energy: -1.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -97.484992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.484992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.484992 (E_RNA)
where:
Base-Base interactions energy: -44.642
where: short stacking energy: -37.878
Base-Backbone interact. energy: 0.084
local terms energy: -52.926845
where:
bonds (distance) C4'-P energy: -11.378
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -12.293
flat angles P-C4'-P energy: -9.077
tors. eta vs tors. theta energy: -4.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -87.695691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.695691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.695691 (E_RNA)
where:
Base-Base interactions energy: -38.094
where: short stacking energy: -37.450
Base-Backbone interact. energy: -0.144
local terms energy: -49.457399
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -6.379
flat angles P-C4'-P energy: -10.666
tors. eta vs tors. theta energy: -1.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -83.594829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.594829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.594829 (E_RNA)
where:
Base-Base interactions energy: -31.852
where: short stacking energy: -21.795
Base-Backbone interact. energy: -0.129
local terms energy: -51.613567
where:
bonds (distance) C4'-P energy: -14.460
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -14.254
flat angles P-C4'-P energy: -10.243
tors. eta vs tors. theta energy: 1.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -212.991251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.991251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.991251 (E_RNA)
where:
Base-Base interactions energy: -142.371
where: short stacking energy: -68.521
Base-Backbone interact. energy: 0.599
local terms energy: -71.218672
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -15.449
flat angles P-C4'-P energy: -12.293
tors. eta vs tors. theta energy: -14.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -194.655755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.655755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.655755 (E_RNA)
where:
Base-Base interactions energy: -125.489
where: short stacking energy: -65.487
Base-Backbone interact. energy: -0.017
local terms energy: -69.149549
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -13.806
flat angles C4'-P-C4' energy: -13.188
flat angles P-C4'-P energy: -10.144
tors. eta vs tors. theta energy: -16.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -197.624173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.624173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.624173 (E_RNA)
where:
Base-Base interactions energy: -127.371
where: short stacking energy: -60.583
Base-Backbone interact. energy: -0.072
local terms energy: -70.180944
where:
bonds (distance) C4'-P energy: -15.462
bonds (distance) P-C4' energy: -13.623
flat angles C4'-P-C4' energy: -11.741
flat angles P-C4'-P energy: -12.109
tors. eta vs tors. theta energy: -17.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -154.827051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.827051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.827051 (E_RNA)
where:
Base-Base interactions energy: -87.961
where: short stacking energy: -53.770
Base-Backbone interact. energy: -0.003
local terms energy: -66.862486
where:
bonds (distance) C4'-P energy: -15.853
bonds (distance) P-C4' energy: -16.469
flat angles C4'-P-C4' energy: -13.236
flat angles P-C4'-P energy: -9.400
tors. eta vs tors. theta energy: -11.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -173.952532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.952532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.952532 (E_RNA)
where:
Base-Base interactions energy: -101.740
where: short stacking energy: -60.971
Base-Backbone interact. energy: -0.106
local terms energy: -72.106516
where:
bonds (distance) C4'-P energy: -10.886
bonds (distance) P-C4' energy: -18.482
flat angles C4'-P-C4' energy: -12.640
flat angles P-C4'-P energy: -9.606
tors. eta vs tors. theta energy: -20.492
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: 221
Temperature: 1.150000
Total energy: -92.027372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.027372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.027372 (E_RNA)
where:
Base-Base interactions energy: -37.494
where: short stacking energy: -33.420
Base-Backbone interact. energy: 0.501
local terms energy: -55.034857
where:
bonds (distance) C4'-P energy: -15.513
bonds (distance) P-C4' energy: -11.543
flat angles C4'-P-C4' energy: -15.192
flat angles P-C4'-P energy: -8.526
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: 7, replica: 3
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -106.884684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.884684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.884684 (E_RNA)
where:
Base-Base interactions energy: -47.202
where: short stacking energy: -45.018
Base-Backbone interact. energy: -0.038
local terms energy: -59.645289
where:
bonds (distance) C4'-P energy: -10.932
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -14.385
flat angles P-C4'-P energy: -8.276
tors. eta vs tors. theta energy: -7.831
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: 10
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -89.850348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.850348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.850348 (E_RNA)
where:
Base-Base interactions energy: -45.520
where: short stacking energy: -31.397
Base-Backbone interact. energy: -0.276
local terms energy: -44.054185
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -12.081
flat angles P-C4'-P energy: -4.200
tors. eta vs tors. theta energy: 1.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -88.601406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.601406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.601406 (E_RNA)
where:
Base-Base interactions energy: -40.847
where: short stacking energy: -35.554
Base-Backbone interact. energy: -0.209
local terms energy: -47.545000
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -11.024
flat angles P-C4'-P energy: -5.960
tors. eta vs tors. theta energy: -3.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -78.353048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.353048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.353048 (E_RNA)
where:
Base-Base interactions energy: -30.407
where: short stacking energy: -30.407
Base-Backbone interact. energy: -0.103
local terms energy: -47.842613
where:
bonds (distance) C4'-P energy: -12.315
bonds (distance) P-C4' energy: -17.048
flat angles C4'-P-C4' energy: -9.896
flat angles P-C4'-P energy: -5.412
tors. eta vs tors. theta energy: -3.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -211.392101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.392101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.392101 (E_RNA)
where:
Base-Base interactions energy: -142.178
where: short stacking energy: -65.126
Base-Backbone interact. energy: -0.010
local terms energy: -69.203766
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -13.781
flat angles C4'-P-C4' energy: -14.961
flat angles P-C4'-P energy: -8.692
tors. eta vs tors. theta energy: -16.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -184.556071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.556071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.556071 (E_RNA)
where:
Base-Base interactions energy: -112.161
where: short stacking energy: -57.396
Base-Backbone interact. energy: -0.175
local terms energy: -72.220783
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -14.860
flat angles P-C4'-P energy: -14.150
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: 3, replica: 8
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -167.225872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.225872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.225872 (E_RNA)
where:
Base-Base interactions energy: -105.352
where: short stacking energy: -44.418
Base-Backbone interact. energy: -0.843
local terms energy: -61.030456
where:
bonds (distance) C4'-P energy: -15.147
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -15.102
flat angles P-C4'-P energy: -11.332
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: 4, replica: 2
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -192.178213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.178213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.178213 (E_RNA)
where:
Base-Base interactions energy: -121.668
where: short stacking energy: -55.393
Base-Backbone interact. energy: -0.021
local terms energy: -70.489984
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -12.218
flat angles P-C4'-P energy: -11.862
tors. eta vs tors. theta energy: -18.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -154.486666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.486666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.486666 (E_RNA)
where:
Base-Base interactions energy: -95.814
where: short stacking energy: -41.408
Base-Backbone interact. energy: -0.537
local terms energy: -58.135385
where:
bonds (distance) C4'-P energy: -9.434
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -16.514
flat angles P-C4'-P energy: -7.332
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: 6, replica: 4
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -89.525535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.525535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.525535 (E_RNA)
where:
Base-Base interactions energy: -41.472
where: short stacking energy: -23.740
Base-Backbone interact. energy: -0.165
local terms energy: -47.888859
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -11.161
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -9.475
tors. eta vs tors. theta energy: 1.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -97.170867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.170867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.170867 (E_RNA)
where:
Base-Base interactions energy: -43.504
where: short stacking energy: -41.863
Base-Backbone interact. energy: -0.068
local terms energy: -53.598016
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -14.179
flat angles P-C4'-P energy: -2.946
tors. eta vs tors. theta energy: -6.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -100.617495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.617495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.617495 (E_RNA)
where:
Base-Base interactions energy: -40.300
where: short stacking energy: -33.998
Base-Backbone interact. energy: -0.200
local terms energy: -60.118063
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -14.594
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -7.241
tors. eta vs tors. theta energy: -7.565
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: 6
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -70.155626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.155626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.155626 (E_RNA)
where:
Base-Base interactions energy: -27.592
where: short stacking energy: -19.767
Base-Backbone interact. energy: -0.228
local terms energy: -42.334836
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -11.788
flat angles P-C4'-P energy: -3.750
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)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -74.489187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.489187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.489187 (E_RNA)
where:
Base-Base interactions energy: -29.458
where: short stacking energy: -25.269
Base-Backbone interact. energy: -0.191
local terms energy: -44.840397
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -8.845
flat angles P-C4'-P energy: -5.156
tors. eta vs tors. theta energy: -1.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -207.141274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.141274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.141274 (E_RNA)
where:
Base-Base interactions energy: -137.402
where: short stacking energy: -71.761
Base-Backbone interact. energy: 0.859
local terms energy: -70.598154
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -16.460
flat angles P-C4'-P energy: -10.404
tors. eta vs tors. theta energy: -14.899
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: 223
Temperature: 0.950000
Total energy: -191.571109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.571109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.571109 (E_RNA)
where:
Base-Base interactions energy: -114.964
where: short stacking energy: -67.089
Base-Backbone interact. energy: -0.005
local terms energy: -76.602354
where:
bonds (distance) C4'-P energy: -10.869
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -16.985
flat angles P-C4'-P energy: -12.177
tors. eta vs tors. theta energy: -18.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -183.995661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.995661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.995661 (E_RNA)
where:
Base-Base interactions energy: -128.024
where: short stacking energy: -59.989
Base-Backbone interact. energy: 1.594
local terms energy: -57.566080
where:
bonds (distance) C4'-P energy: -10.543
bonds (distance) P-C4' energy: -11.836
flat angles C4'-P-C4' energy: -15.906
flat angles P-C4'-P energy: -10.509
tors. eta vs tors. theta energy: -8.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -186.118674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.118674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.118674 (E_RNA)
where:
Base-Base interactions energy: -119.057
where: short stacking energy: -69.880
Base-Backbone interact. energy: -0.003
local terms energy: -67.058967
where:
bonds (distance) C4'-P energy: -16.590
bonds (distance) P-C4' energy: -11.442
flat angles C4'-P-C4' energy: -14.860
flat angles P-C4'-P energy: -7.055
tors. eta vs tors. theta energy: -17.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -156.364856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.364856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.364856 (E_RNA)
where:
Base-Base interactions energy: -94.993
where: short stacking energy: -50.408
Base-Backbone interact. energy: -1.187
local terms energy: -60.184560
where:
bonds (distance) C4'-P energy: -9.284
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -9.663
tors. eta vs tors. theta energy: -12.888
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: 223
Temperature: 1.150000
Total energy: -121.704177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.704177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.704177 (E_RNA)
where:
Base-Base interactions energy: -60.811
where: short stacking energy: -42.075
Base-Backbone interact. energy: -0.398
local terms energy: -60.494304
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -15.462
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -6.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -129.406835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.406835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.406835 (E_RNA)
where:
Base-Base interactions energy: -81.993
where: short stacking energy: -50.779
Base-Backbone interact. energy: 0.274
local terms energy: -47.687887
where:
bonds (distance) C4'-P energy: -8.869
bonds (distance) P-C4' energy: -8.717
flat angles C4'-P-C4' energy: -11.859
flat angles P-C4'-P energy: -6.815
tors. eta vs tors. theta energy: -11.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -91.749416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.749416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.749416 (E_RNA)
where:
Base-Base interactions energy: -38.618
where: short stacking energy: -26.560
Base-Backbone interact. energy: -0.492
local terms energy: -52.639669
where:
bonds (distance) C4'-P energy: -12.368
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -10.629
flat angles P-C4'-P energy: -9.445
tors. eta vs tors. theta energy: -6.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -79.223917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.223917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.223917 (E_RNA)
where:
Base-Base interactions energy: -30.700
where: short stacking energy: -22.435
Base-Backbone interact. energy: -0.511
local terms energy: -48.012066
where:
bonds (distance) C4'-P energy: -12.535
bonds (distance) P-C4' energy: -14.180
flat angles C4'-P-C4' energy: -14.981
flat angles P-C4'-P energy: -7.093
tors. eta vs tors. theta energy: 0.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -68.459547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.459547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.459547 (E_RNA)
where:
Base-Base interactions energy: -29.486
where: short stacking energy: -22.497
Base-Backbone interact. energy: -0.120
local terms energy: -38.853921
where:
bonds (distance) C4'-P energy: -11.918
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: 2.604
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: 1, replica: 9
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -182.718418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.718418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.718418 (E_RNA)
where:
Base-Base interactions energy: -115.912
where: short stacking energy: -58.506
Base-Backbone interact. energy: 0.047
local terms energy: -66.853748
where:
bonds (distance) C4'-P energy: -17.157
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -17.647
flat angles P-C4'-P energy: -8.325
tors. eta vs tors. theta energy: -10.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -198.210312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.210312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.210312 (E_RNA)
where:
Base-Base interactions energy: -123.249
where: short stacking energy: -69.498
Base-Backbone interact. energy: -0.355
local terms energy: -74.605695
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -13.343
flat angles P-C4'-P energy: -14.263
tors. eta vs tors. theta energy: -18.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -181.598330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.598330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.598330 (E_RNA)
where:
Base-Base interactions energy: -115.779
where: short stacking energy: -57.071
Base-Backbone interact. energy: -0.142
local terms energy: -65.676982
where:
bonds (distance) C4'-P energy: -12.721
bonds (distance) P-C4' energy: -14.307
flat angles C4'-P-C4' energy: -13.647
flat angles P-C4'-P energy: -9.449
tors. eta vs tors. theta energy: -15.553
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: 2
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -178.446017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.446017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.446017 (E_RNA)
where:
Base-Base interactions energy: -109.072
where: short stacking energy: -59.399
Base-Backbone interact. energy: -0.013
local terms energy: -69.360713
where:
bonds (distance) C4'-P energy: -15.146
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -16.764
flat angles P-C4'-P energy: -9.257
tors. eta vs tors. theta energy: -12.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -149.096363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.096363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.096363 (E_RNA)
where:
Base-Base interactions energy: -88.359
where: short stacking energy: -32.292
Base-Backbone interact. energy: 1.340
local terms energy: -62.077361
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -11.928
flat angles C4'-P-C4' energy: -12.741
flat angles P-C4'-P energy: -12.270
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: 6, replica: 10
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -112.882748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.882748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.882748 (E_RNA)
where:
Base-Base interactions energy: -46.232
where: short stacking energy: -38.253
Base-Backbone interact. energy: -0.098
local terms energy: -66.552475
where:
bonds (distance) C4'-P energy: -15.228
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -11.976
flat angles P-C4'-P energy: -11.238
tors. eta vs tors. theta energy: -10.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -96.254369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.254369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.254369 (E_RNA)
where:
Base-Base interactions energy: -54.096
where: short stacking energy: -34.976
Base-Backbone interact. energy: -0.146
local terms energy: -42.012617
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -8.058
flat angles P-C4'-P energy: -7.413
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: 8, replica: 4
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -100.565825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.565825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.565825 (E_RNA)
where:
Base-Base interactions energy: -41.362
where: short stacking energy: -23.154
Base-Backbone interact. energy: 1.328
local terms energy: -60.531676
where:
bonds (distance) C4'-P energy: -15.942
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -12.625
flat angles P-C4'-P energy: -9.412
tors. eta vs tors. theta energy: -5.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -93.015672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.015672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.015672 (E_RNA)
where:
Base-Base interactions energy: -48.530
where: short stacking energy: -31.635
Base-Backbone interact. energy: -0.104
local terms energy: -44.381911
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -9.656
flat angles P-C4'-P energy: -4.427
tors. eta vs tors. theta energy: -0.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -77.535414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.535414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.535414 (E_RNA)
where:
Base-Base interactions energy: -22.160
where: short stacking energy: -22.160
Base-Backbone interact. energy: -1.408
local terms energy: -53.967183
where:
bonds (distance) C4'-P energy: -7.940
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -15.243
flat angles P-C4'-P energy: -12.596
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: 1, replica: 9
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -193.110087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.110087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.110087 (E_RNA)
where:
Base-Base interactions energy: -114.952
where: short stacking energy: -55.768
Base-Backbone interact. energy: -0.014
local terms energy: -78.143931
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -16.312
flat angles P-C4'-P energy: -13.730
tors. eta vs tors. theta energy: -17.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -193.540032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.540032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.540032 (E_RNA)
where:
Base-Base interactions energy: -127.369
where: short stacking energy: -52.720
Base-Backbone interact. energy: -0.392
local terms energy: -65.778736
where:
bonds (distance) C4'-P energy: -9.375
bonds (distance) P-C4' energy: -13.105
flat angles C4'-P-C4' energy: -15.851
flat angles P-C4'-P energy: -10.617
tors. eta vs tors. theta energy: -16.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -172.957257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.957257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.957257 (E_RNA)
where:
Base-Base interactions energy: -102.603
where: short stacking energy: -61.067
Base-Backbone interact. energy: -0.076
local terms energy: -70.278451
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -14.950
flat angles P-C4'-P energy: -11.579
tors. eta vs tors. theta energy: -17.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -177.412710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.412710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.412710 (E_RNA)
where:
Base-Base interactions energy: -124.139
where: short stacking energy: -46.309
Base-Backbone interact. energy: -0.025
local terms energy: -53.249259
where:
bonds (distance) C4'-P energy: -16.528
bonds (distance) P-C4' energy: -10.324
flat angles C4'-P-C4' energy: -9.582
flat angles P-C4'-P energy: -4.724
tors. eta vs tors. theta energy: -12.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -128.843218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.843218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.843218 (E_RNA)
where:
Base-Base interactions energy: -63.089
where: short stacking energy: -41.392
Base-Backbone interact. energy: -0.021
local terms energy: -65.733093
where:
bonds (distance) C4'-P energy: -14.844
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -13.437
flat angles P-C4'-P energy: -6.710
tors. eta vs tors. theta energy: -15.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -111.438214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.438214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.438214 (E_RNA)
where:
Base-Base interactions energy: -52.029
where: short stacking energy: -44.371
Base-Backbone interact. energy: -0.175
local terms energy: -59.234238
where:
bonds (distance) C4'-P energy: -11.214
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -10.923
flat angles P-C4'-P energy: -13.347
tors. eta vs tors. theta energy: -9.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -86.718825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.718825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.718825 (E_RNA)
where:
Base-Base interactions energy: -34.491
where: short stacking energy: -19.580
Base-Backbone interact. energy: -0.427
local terms energy: -51.800699
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -12.520
flat angles C4'-P-C4' energy: -15.930
flat angles P-C4'-P energy: -9.541
tors. eta vs tors. theta energy: 0.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -75.775027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.775027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.775027 (E_RNA)
where:
Base-Base interactions energy: -28.083
where: short stacking energy: -9.264
Base-Backbone interact. energy: 0.509
local terms energy: -48.200907
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -11.330
flat angles C4'-P-C4' energy: -13.350
flat angles P-C4'-P energy: -9.630
tors. eta vs tors. theta energy: -2.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -81.576120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.576120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.576120 (E_RNA)
where:
Base-Base interactions energy: -34.828
where: short stacking energy: -29.971
Base-Backbone interact. energy: -0.067
local terms energy: -46.680958
where:
bonds (distance) C4'-P energy: -8.326
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -11.869
flat angles P-C4'-P energy: -7.045
tors. eta vs tors. theta energy: -3.863
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: 3
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -85.124124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.124124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.124124 (E_RNA)
where:
Base-Base interactions energy: -31.287
where: short stacking energy: -22.031
Base-Backbone interact. energy: -0.096
local terms energy: -53.741117
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -12.121
flat angles C4'-P-C4' energy: -11.911
flat angles P-C4'-P energy: -11.586
tors. eta vs tors. theta energy: -6.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -204.334043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.334043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.334043 (E_RNA)
where:
Base-Base interactions energy: -140.071
where: short stacking energy: -64.228
Base-Backbone interact. energy: -0.429
local terms energy: -63.833743
where:
bonds (distance) C4'-P energy: -11.336
bonds (distance) P-C4' energy: -14.697
flat angles C4'-P-C4' energy: -13.259
flat angles P-C4'-P energy: -8.192
tors. eta vs tors. theta energy: -16.350
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: 9
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -183.396468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.396468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.396468 (E_RNA)
where:
Base-Base interactions energy: -113.923
where: short stacking energy: -61.522
Base-Backbone interact. energy: -0.001
local terms energy: -69.472948
where:
bonds (distance) C4'-P energy: -11.084
bonds (distance) P-C4' energy: -16.773
flat angles C4'-P-C4' energy: -13.910
flat angles P-C4'-P energy: -11.454
tors. eta vs tors. theta energy: -16.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -192.330295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.330295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.330295 (E_RNA)
where:
Base-Base interactions energy: -120.091
where: short stacking energy: -57.923
Base-Backbone interact. energy: -0.601
local terms energy: -71.638433
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -15.396
flat angles P-C4'-P energy: -9.927
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: 4, replica: 7
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -186.089542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.089542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.089542 (E_RNA)
where:
Base-Base interactions energy: -122.046
where: short stacking energy: -53.196
Base-Backbone interact. energy: -0.651
local terms energy: -63.392377
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -14.239
flat angles P-C4'-P energy: -10.997
tors. eta vs tors. theta energy: -9.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -111.756132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.756132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.756132 (E_RNA)
where:
Base-Base interactions energy: -58.708
where: short stacking energy: -54.871
Base-Backbone interact. energy: -0.022
local terms energy: -53.026302
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -8.104
flat angles C4'-P-C4' energy: -8.112
flat angles P-C4'-P energy: -10.805
tors. eta vs tors. theta energy: -12.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -100.165319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.165319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.165319 (E_RNA)
where:
Base-Base interactions energy: -47.303
where: short stacking energy: -26.266
Base-Backbone interact. energy: -0.065
local terms energy: -52.797385
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -13.527
flat angles P-C4'-P energy: -9.023
tors. eta vs tors. theta energy: -1.458
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: 7, replica: 6
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -88.660611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.660611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.660611 (E_RNA)
where:
Base-Base interactions energy: -31.273
where: short stacking energy: -29.207
Base-Backbone interact. energy: -0.117
local terms energy: -57.271091
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -17.081
flat angles C4'-P-C4' energy: -16.406
flat angles P-C4'-P energy: -8.490
tors. eta vs tors. theta energy: -3.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -97.935277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.935277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.935277 (E_RNA)
where:
Base-Base interactions energy: -55.088
where: short stacking energy: -28.627
Base-Backbone interact. energy: -0.135
local terms energy: -42.712361
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -12.157
flat angles C4'-P-C4' energy: -10.409
flat angles P-C4'-P energy: -7.550
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: 3
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -84.775145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.775145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.775145 (E_RNA)
where:
Base-Base interactions energy: -31.432
where: short stacking energy: -31.432
Base-Backbone interact. energy: -0.356
local terms energy: -52.986918
where:
bonds (distance) C4'-P energy: -12.654
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -15.744
flat angles P-C4'-P energy: -6.312
tors. eta vs tors. theta energy: -5.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -74.099165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.099165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.099165 (E_RNA)
where:
Base-Base interactions energy: -22.157
where: short stacking energy: -16.265
Base-Backbone interact. energy: -1.583
local terms energy: -50.359301
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -13.212
flat angles C4'-P-C4' energy: -16.716
flat angles P-C4'-P energy: -8.875
tors. eta vs tors. theta energy: -0.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -198.388391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.388391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.388391 (E_RNA)
where:
Base-Base interactions energy: -132.858
where: short stacking energy: -55.149
Base-Backbone interact. energy: -0.041
local terms energy: -65.489430
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -7.914
tors. eta vs tors. theta energy: -10.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -189.378248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.378248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.378248 (E_RNA)
where:
Base-Base interactions energy: -111.134
where: short stacking energy: -54.072
Base-Backbone interact. energy: -0.001
local terms energy: -78.242849
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -14.993
flat angles P-C4'-P energy: -11.777
tors. eta vs tors. theta energy: -19.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -183.734285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.734285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.734285 (E_RNA)
where:
Base-Base interactions energy: -110.446
where: short stacking energy: -69.995
Base-Backbone interact. energy: -0.749
local terms energy: -72.539473
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -15.918
flat angles C4'-P-C4' energy: -16.297
flat angles P-C4'-P energy: -8.595
tors. eta vs tors. theta energy: -18.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -176.238772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.238772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.238772 (E_RNA)
where:
Base-Base interactions energy: -112.574
where: short stacking energy: -40.930
Base-Backbone interact. energy: 0.118
local terms energy: -63.782886
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -17.477
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -5.279
tors. eta vs tors. theta energy: -11.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -142.013874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.013874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.013874 (E_RNA)
where:
Base-Base interactions energy: -82.041
where: short stacking energy: -44.780
Base-Backbone interact. energy: -0.382
local terms energy: -59.591008
where:
bonds (distance) C4'-P energy: -11.036
bonds (distance) P-C4' energy: -11.840
flat angles C4'-P-C4' energy: -14.418
flat angles P-C4'-P energy: -12.300
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: 6
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -104.418606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.418606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.418606 (E_RNA)
where:
Base-Base interactions energy: -43.345
where: short stacking energy: -42.607
Base-Backbone interact. energy: -0.493
local terms energy: -60.580528
where:
bonds (distance) C4'-P energy: -9.047
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -13.827
flat angles P-C4'-P energy: -8.096
tors. eta vs tors. theta energy: -12.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -92.558771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.558771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.558771 (E_RNA)
where:
Base-Base interactions energy: -40.039
where: short stacking energy: -40.039
Base-Backbone interact. energy: -0.117
local terms energy: -52.402450
where:
bonds (distance) C4'-P energy: -11.631
bonds (distance) P-C4' energy: -13.588
flat angles C4'-P-C4' energy: -10.167
flat angles P-C4'-P energy: -7.889
tors. eta vs tors. theta energy: -9.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -95.212852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.212852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.212852 (E_RNA)
where:
Base-Base interactions energy: -38.630
where: short stacking energy: -33.604
Base-Backbone interact. energy: 0.409
local terms energy: -56.991744
where:
bonds (distance) C4'-P energy: -7.997
bonds (distance) P-C4' energy: -13.499
flat angles C4'-P-C4' energy: -16.026
flat angles P-C4'-P energy: -9.306
tors. eta vs tors. theta energy: -10.165
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: 9, replica: 1
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -80.463424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.463424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.463424 (E_RNA)
where:
Base-Base interactions energy: -34.306
where: short stacking energy: -29.718
Base-Backbone interact. energy: -2.701
local terms energy: -43.456434
where:
bonds (distance) C4'-P energy: -8.092
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -10.204
flat angles P-C4'-P energy: -6.397
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: 10, replica: 4
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -78.310447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.310447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.310447 (E_RNA)
where:
Base-Base interactions energy: -26.975
where: short stacking energy: -24.835
Base-Backbone interact. energy: -0.065
local terms energy: -51.271070
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -11.508
flat angles P-C4'-P energy: -9.253
tors. eta vs tors. theta energy: -0.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -202.964383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.964383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.964383 (E_RNA)
where:
Base-Base interactions energy: -134.979
where: short stacking energy: -62.061
Base-Backbone interact. energy: -0.005
local terms energy: -67.980424
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -14.411
flat angles C4'-P-C4' energy: -14.272
flat angles P-C4'-P energy: -8.927
tors. eta vs tors. theta energy: -15.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -201.680246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.680246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.680246 (E_RNA)
where:
Base-Base interactions energy: -130.502
where: short stacking energy: -54.784
Base-Backbone interact. energy: -0.766
local terms energy: -70.412733
where:
bonds (distance) C4'-P energy: -15.735
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -17.790
flat angles P-C4'-P energy: -6.083
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: 3, replica: 7
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -197.497350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.497350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.497350 (E_RNA)
where:
Base-Base interactions energy: -125.744
where: short stacking energy: -60.036
Base-Backbone interact. energy: -0.124
local terms energy: -71.629179
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -17.443
flat angles C4'-P-C4' energy: -16.455
flat angles P-C4'-P energy: -10.212
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: 4, replica: 9
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -184.453176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.453176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.453176 (E_RNA)
where:
Base-Base interactions energy: -120.187
where: short stacking energy: -57.605
Base-Backbone interact. energy: -0.046
local terms energy: -64.220056
where:
bonds (distance) C4'-P energy: -17.728
bonds (distance) P-C4' energy: -12.726
flat angles C4'-P-C4' energy: -12.172
flat angles P-C4'-P energy: -8.129
tors. eta vs tors. theta energy: -13.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -134.298331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.298331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.298331 (E_RNA)
where:
Base-Base interactions energy: -68.891
where: short stacking energy: -46.272
Base-Backbone interact. energy: -1.904
local terms energy: -63.503154
where:
bonds (distance) C4'-P energy: -15.507
bonds (distance) P-C4' energy: -15.596
flat angles C4'-P-C4' energy: -12.807
flat angles P-C4'-P energy: -6.686
tors. eta vs tors. theta energy: -12.907
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: 6, replica: 6
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -88.117412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.117412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.117412 (E_RNA)
where:
Base-Base interactions energy: -37.530
where: short stacking energy: -33.223
Base-Backbone interact. energy: -0.095
local terms energy: -50.491965
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -12.753
flat angles C4'-P-C4' energy: -11.706
flat angles P-C4'-P energy: -5.643
tors. eta vs tors. theta energy: -4.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -95.652226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.652226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.652226 (E_RNA)
where:
Base-Base interactions energy: -40.353
where: short stacking energy: -35.661
Base-Backbone interact. energy: -0.021
local terms energy: -55.278356
where:
bonds (distance) C4'-P energy: -12.777
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -15.457
flat angles P-C4'-P energy: -6.848
tors. eta vs tors. theta energy: -3.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -81.345220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.345220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.345220 (E_RNA)
where:
Base-Base interactions energy: -30.288
where: short stacking energy: -25.263
Base-Backbone interact. energy: -0.318
local terms energy: -50.739059
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -11.952
flat angles P-C4'-P energy: -7.365
tors. eta vs tors. theta energy: -2.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -77.261190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.261190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.261190 (E_RNA)
where:
Base-Base interactions energy: -26.018
where: short stacking energy: -26.018
Base-Backbone interact. energy: -0.199
local terms energy: -51.044179
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -12.315
flat angles C4'-P-C4' energy: -16.080
flat angles P-C4'-P energy: -6.538
tors. eta vs tors. theta energy: -2.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -87.796380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.796380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.796380 (E_RNA)
where:
Base-Base interactions energy: -35.494
where: short stacking energy: -28.047
Base-Backbone interact. energy: 0.680
local terms energy: -52.982343
where:
bonds (distance) C4'-P energy: -11.913
bonds (distance) P-C4' energy: -11.636
flat angles C4'-P-C4' energy: -16.476
flat angles P-C4'-P energy: -6.301
tors. eta vs tors. theta energy: -6.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -191.687228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.687228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.687228 (E_RNA)
where:
Base-Base interactions energy: -121.478
where: short stacking energy: -54.373
Base-Backbone interact. energy: -0.131
local terms energy: -70.078406
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -15.639
flat angles P-C4'-P energy: -8.682
tors. eta vs tors. theta energy: -14.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -200.845865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.845865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.845865 (E_RNA)
where:
Base-Base interactions energy: -133.690
where: short stacking energy: -49.609
Base-Backbone interact. energy: -0.420
local terms energy: -66.736274
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -15.129
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -10.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -190.374033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.374033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.374033 (E_RNA)
where:
Base-Base interactions energy: -123.956
where: short stacking energy: -57.193
Base-Backbone interact. energy: -0.531
local terms energy: -65.886731
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -15.773
flat angles P-C4'-P energy: -2.506
tors. eta vs tors. theta energy: -16.656
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: 9
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -188.688483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.688483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.688483 (E_RNA)
where:
Base-Base interactions energy: -117.785
where: short stacking energy: -56.257
Base-Backbone interact. energy: -0.001
local terms energy: -70.903026
where:
bonds (distance) C4'-P energy: -11.502
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -14.847
flat angles P-C4'-P energy: -11.461
tors. eta vs tors. theta energy: -17.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -140.592093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.592093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.592093 (E_RNA)
where:
Base-Base interactions energy: -82.577
where: short stacking energy: -48.143
Base-Backbone interact. energy: 1.179
local terms energy: -59.194542
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -14.923
flat angles C4'-P-C4' energy: -11.421
flat angles P-C4'-P energy: -7.965
tors. eta vs tors. theta energy: -12.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -100.626161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.626161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.626161 (E_RNA)
where:
Base-Base interactions energy: -33.989
where: short stacking energy: -33.989
Base-Backbone interact. energy: -0.009
local terms energy: -66.628235
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -13.390
flat angles C4'-P-C4' energy: -16.824
flat angles P-C4'-P energy: -8.550
tors. eta vs tors. theta energy: -11.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -95.329102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.329102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.329102 (E_RNA)
where:
Base-Base interactions energy: -37.608
where: short stacking energy: -37.608
Base-Backbone interact. energy: -0.026
local terms energy: -57.695247
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -11.187
flat angles P-C4'-P energy: -8.092
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: 8, replica: 4
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -83.283319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.283319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.283319 (E_RNA)
where:
Base-Base interactions energy: -32.174
where: short stacking energy: -21.348
Base-Backbone interact. energy: -0.247
local terms energy: -50.861738
where:
bonds (distance) C4'-P energy: -12.688
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -14.182
flat angles P-C4'-P energy: -5.294
tors. eta vs tors. theta energy: -1.823
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: 229
Temperature: 1.300000
Total energy: -83.030659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.030659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.030659 (E_RNA)
where:
Base-Base interactions energy: -31.149
where: short stacking energy: -25.409
Base-Backbone interact. energy: -1.214
local terms energy: -50.667040
where:
bonds (distance) C4'-P energy: -10.683
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -12.121
flat angles P-C4'-P energy: -10.880
tors. eta vs tors. theta energy: -0.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -78.599549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.599549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.599549 (E_RNA)
where:
Base-Base interactions energy: -30.258
where: short stacking energy: -21.410
Base-Backbone interact. energy: -0.225
local terms energy: -48.115982
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -13.670
flat angles C4'-P-C4' energy: -11.202
flat angles P-C4'-P energy: -10.338
tors. eta vs tors. theta energy: -0.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -201.974998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.974998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.974998 (E_RNA)
where:
Base-Base interactions energy: -129.674
where: short stacking energy: -62.401
Base-Backbone interact. energy: -0.011
local terms energy: -72.289832
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -13.778
flat angles P-C4'-P energy: -11.343
tors. eta vs tors. theta energy: -17.192
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: 7
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -188.576706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.576706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.576706 (E_RNA)
where:
Base-Base interactions energy: -115.463
where: short stacking energy: -57.032
Base-Backbone interact. energy: 0.763
local terms energy: -73.876542
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -16.328
flat angles C4'-P-C4' energy: -14.210
flat angles P-C4'-P energy: -12.450
tors. eta vs tors. theta energy: -16.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -195.975049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.975049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.975049 (E_RNA)
where:
Base-Base interactions energy: -126.009
where: short stacking energy: -58.525
Base-Backbone interact. energy: -0.107
local terms energy: -69.859049
where:
bonds (distance) C4'-P energy: -16.239
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -13.831
flat angles P-C4'-P energy: -11.040
tors. eta vs tors. theta energy: -15.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -174.159500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.159500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.159500 (E_RNA)
where:
Base-Base interactions energy: -107.549
where: short stacking energy: -42.432
Base-Backbone interact. energy: -0.470
local terms energy: -66.141090
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -13.474
flat angles P-C4'-P energy: -11.539
tors. eta vs tors. theta energy: -9.306
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: 10
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -118.362148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.362148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.362148 (E_RNA)
where:
Base-Base interactions energy: -53.774
where: short stacking energy: -50.682
Base-Backbone interact. energy: 0.031
local terms energy: -64.618527
where:
bonds (distance) C4'-P energy: -15.536
bonds (distance) P-C4' energy: -13.006
flat angles C4'-P-C4' energy: -14.238
flat angles P-C4'-P energy: -9.241
tors. eta vs tors. theta energy: -12.598
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: 5
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -102.275560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.275560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.275560 (E_RNA)
where:
Base-Base interactions energy: -50.846
where: short stacking energy: -41.818
Base-Backbone interact. energy: -0.094
local terms energy: -51.335718
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -6.715
flat angles P-C4'-P energy: -9.576
tors. eta vs tors. theta energy: -6.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -83.087662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.087662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.087662 (E_RNA)
where:
Base-Base interactions energy: -27.695
where: short stacking energy: -27.695
Base-Backbone interact. energy: -0.107
local terms energy: -55.286344
where:
bonds (distance) C4'-P energy: -16.202
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -11.918
flat angles P-C4'-P energy: -6.068
tors. eta vs tors. theta energy: -5.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -83.395637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.395637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.395637 (E_RNA)
where:
Base-Base interactions energy: -36.517
where: short stacking energy: -28.715
Base-Backbone interact. energy: 1.328
local terms energy: -48.206560
where:
bonds (distance) C4'-P energy: -12.657
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -11.201
flat angles P-C4'-P energy: -3.101
tors. eta vs tors. theta energy: -4.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -83.373033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.373033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.373033 (E_RNA)
where:
Base-Base interactions energy: -31.753
where: short stacking energy: -28.034
Base-Backbone interact. energy: -0.130
local terms energy: -51.490227
where:
bonds (distance) C4'-P energy: -17.879
bonds (distance) P-C4' energy: -14.299
flat angles C4'-P-C4' energy: -11.760
flat angles P-C4'-P energy: -7.325
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: 3
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -74.981269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.981269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.981269 (E_RNA)
where:
Base-Base interactions energy: -21.476
where: short stacking energy: -18.183
Base-Backbone interact. energy: -0.524
local terms energy: -52.980658
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -12.778
flat angles C4'-P-C4' energy: -14.109
flat angles P-C4'-P energy: -6.951
tors. eta vs tors. theta energy: -2.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -204.462288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.462288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.462288 (E_RNA)
where:
Base-Base interactions energy: -134.862
where: short stacking energy: -63.997
Base-Backbone interact. energy: -0.434
local terms energy: -69.166508
where:
bonds (distance) C4'-P energy: -14.719
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -11.820
flat angles P-C4'-P energy: -12.562
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: 2, replica: 7
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -186.308525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.308525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.308525 (E_RNA)
where:
Base-Base interactions energy: -120.809
where: short stacking energy: -61.368
Base-Backbone interact. energy: -0.457
local terms energy: -65.042218
where:
bonds (distance) C4'-P energy: -9.927
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -14.751
flat angles P-C4'-P energy: -10.381
tors. eta vs tors. theta energy: -16.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -179.567082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.567082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.567082 (E_RNA)
where:
Base-Base interactions energy: -121.506
where: short stacking energy: -61.183
Base-Backbone interact. energy: -0.479
local terms energy: -57.582162
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -7.202
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -7.359
tors. eta vs tors. theta energy: -11.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -168.556783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.556783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.556783 (E_RNA)
where:
Base-Base interactions energy: -104.750
where: short stacking energy: -53.600
Base-Backbone interact. energy: -0.343
local terms energy: -63.463296
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -15.791
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -8.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -118.904444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.904444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.904444 (E_RNA)
where:
Base-Base interactions energy: -55.955
where: short stacking energy: -45.027
Base-Backbone interact. energy: -0.100
local terms energy: -62.849850
where:
bonds (distance) C4'-P energy: -11.318
bonds (distance) P-C4' energy: -16.246
flat angles C4'-P-C4' energy: -15.197
flat angles P-C4'-P energy: -6.219
tors. eta vs tors. theta energy: -13.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -94.053385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.053385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.053385 (E_RNA)
where:
Base-Base interactions energy: -36.148
where: short stacking energy: -36.148
Base-Backbone interact. energy: -0.219
local terms energy: -57.686868
where:
bonds (distance) C4'-P energy: -13.144
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -12.041
flat angles P-C4'-P energy: -10.073
tors. eta vs tors. theta energy: -7.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -93.238151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.238151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.238151 (E_RNA)
where:
Base-Base interactions energy: -39.638
where: short stacking energy: -37.702
Base-Backbone interact. energy: -0.109
local terms energy: -53.491326
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -12.273
flat angles P-C4'-P energy: -8.383
tors. eta vs tors. theta energy: -5.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -78.335716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.335716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.335716 (E_RNA)
where:
Base-Base interactions energy: -33.427
where: short stacking energy: -29.882
Base-Backbone interact. energy: -0.573
local terms energy: -44.335277
where:
bonds (distance) C4'-P energy: -9.880
bonds (distance) P-C4' energy: -14.572
flat angles C4'-P-C4' energy: -10.566
flat angles P-C4'-P energy: -6.862
tors. eta vs tors. theta energy: -2.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -76.644783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.644783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.644783 (E_RNA)
where:
Base-Base interactions energy: -28.590
where: short stacking energy: -25.243
Base-Backbone interact. energy: 0.192
local terms energy: -48.247039
where:
bonds (distance) C4'-P energy: -9.329
bonds (distance) P-C4' energy: -18.687
flat angles C4'-P-C4' energy: -11.708
flat angles P-C4'-P energy: -6.443
tors. eta vs tors. theta energy: -2.079
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: 10, replica: 3
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -79.695551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.695551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.695551 (E_RNA)
where:
Base-Base interactions energy: -29.512
where: short stacking energy: -25.642
Base-Backbone interact. energy: -0.439
local terms energy: -49.744118
where:
bonds (distance) C4'-P energy: -9.018
bonds (distance) P-C4' energy: -15.639
flat angles C4'-P-C4' energy: -14.065
flat angles P-C4'-P energy: -7.423
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: 2
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -212.594222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.594222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.594222 (E_RNA)
where:
Base-Base interactions energy: -147.582
where: short stacking energy: -68.042
Base-Backbone interact. energy: 0.193
local terms energy: -65.204685
where:
bonds (distance) C4'-P energy: -12.848
bonds (distance) P-C4' energy: -14.795
flat angles C4'-P-C4' energy: -13.772
flat angles P-C4'-P energy: -11.100
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: 2, replica: 7
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -193.170431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.170431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.170431 (E_RNA)
where:
Base-Base interactions energy: -121.179
where: short stacking energy: -57.059
Base-Backbone interact. energy: 0.834
local terms energy: -72.825241
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -12.922
flat angles C4'-P-C4' energy: -17.912
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -16.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -193.836191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.836191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.836191 (E_RNA)
where:
Base-Base interactions energy: -123.608
where: short stacking energy: -65.139
Base-Backbone interact. energy: -0.399
local terms energy: -69.829126
where:
bonds (distance) C4'-P energy: -11.551
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -16.163
flat angles P-C4'-P energy: -10.616
tors. eta vs tors. theta energy: -17.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -155.371306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.371306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.371306 (E_RNA)
where:
Base-Base interactions energy: -91.715
where: short stacking energy: -52.966
Base-Backbone interact. energy: -0.559
local terms energy: -63.096667
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -14.315
flat angles P-C4'-P energy: -7.651
tors. eta vs tors. theta energy: -9.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -131.102432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.102432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.102432 (E_RNA)
where:
Base-Base interactions energy: -64.913
where: short stacking energy: -43.664
Base-Backbone interact. energy: -0.811
local terms energy: -65.378497
where:
bonds (distance) C4'-P energy: -10.294
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -15.552
flat angles P-C4'-P energy: -11.232
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: 6, replica: 4
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -101.887275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.887275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.887275 (E_RNA)
where:
Base-Base interactions energy: -54.782
where: short stacking energy: -43.904
Base-Backbone interact. energy: -0.536
local terms energy: -46.568912
where:
bonds (distance) C4'-P energy: -12.748
bonds (distance) P-C4' energy: -12.572
flat angles C4'-P-C4' energy: -11.427
flat angles P-C4'-P energy: -5.379
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: 7, replica: 1
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -90.899782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.899782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.899782 (E_RNA)
where:
Base-Base interactions energy: -33.297
where: short stacking energy: -28.867
Base-Backbone interact. energy: -0.291
local terms energy: -57.312321
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -11.659
flat angles P-C4'-P energy: -11.594
tors. eta vs tors. theta energy: -5.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -82.907735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.907735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.907735 (E_RNA)
where:
Base-Base interactions energy: -29.813
where: short stacking energy: -29.392
Base-Backbone interact. energy: -0.071
local terms energy: -53.024057
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -11.324
flat angles P-C4'-P energy: -4.396
tors. eta vs tors. theta energy: -5.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -87.391238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.391238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.391238 (E_RNA)
where:
Base-Base interactions energy: -32.111
where: short stacking energy: -29.319
Base-Backbone interact. energy: -0.078
local terms energy: -55.202187
where:
bonds (distance) C4'-P energy: -11.935
bonds (distance) P-C4' energy: -16.752
flat angles C4'-P-C4' energy: -11.165
flat angles P-C4'-P energy: -10.945
tors. eta vs tors. theta energy: -4.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -77.339030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.339030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.339030 (E_RNA)
where:
Base-Base interactions energy: -27.540
where: short stacking energy: -27.540
Base-Backbone interact. energy: -0.159
local terms energy: -49.640413
where:
bonds (distance) C4'-P energy: -10.779
bonds (distance) P-C4' energy: -16.330
flat angles C4'-P-C4' energy: -11.554
flat angles P-C4'-P energy: -7.098
tors. eta vs tors. theta energy: -3.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -206.675886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.675886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.675886 (E_RNA)
where:
Base-Base interactions energy: -138.273
where: short stacking energy: -57.040
Base-Backbone interact. energy: 1.125
local terms energy: -69.528509
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -15.600
flat angles P-C4'-P energy: -11.113
tors. eta vs tors. theta energy: -12.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -193.706776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.706776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.706776 (E_RNA)
where:
Base-Base interactions energy: -129.576
where: short stacking energy: -48.513
Base-Backbone interact. energy: -0.564
local terms energy: -63.567458
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -10.176
flat angles P-C4'-P energy: -11.317
tors. eta vs tors. theta energy: -11.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -177.194195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.194195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.194195 (E_RNA)
where:
Base-Base interactions energy: -114.276
where: short stacking energy: -49.163
Base-Backbone interact. energy: -0.266
local terms energy: -62.652188
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -11.787
flat angles P-C4'-P energy: -10.638
tors. eta vs tors. theta energy: -10.475
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: 8
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -177.785504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.785504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.785504 (E_RNA)
where:
Base-Base interactions energy: -102.426
where: short stacking energy: -61.205
Base-Backbone interact. energy: -2.401
local terms energy: -72.958641
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -13.129
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: -21.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -120.673272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.673272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.673272 (E_RNA)
where:
Base-Base interactions energy: -70.572
where: short stacking energy: -35.245
Base-Backbone interact. energy: -0.173
local terms energy: -49.927702
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -10.963
flat angles C4'-P-C4' energy: -11.413
flat angles P-C4'-P energy: -9.912
tors. eta vs tors. theta energy: -2.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -96.945138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.945138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.945138 (E_RNA)
where:
Base-Base interactions energy: -49.801
where: short stacking energy: -29.825
Base-Backbone interact. energy: -1.226
local terms energy: -45.918083
where:
bonds (distance) C4'-P energy: -12.998
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -8.156
flat angles P-C4'-P energy: -5.040
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: 7, replica: 1
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -88.637105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.637105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.637105 (E_RNA)
where:
Base-Base interactions energy: -43.806
where: short stacking energy: -33.663
Base-Backbone interact. energy: -0.115
local terms energy: -44.715706
where:
bonds (distance) C4'-P energy: -9.939
bonds (distance) P-C4' energy: -12.505
flat angles C4'-P-C4' energy: -8.807
flat angles P-C4'-P energy: -7.754
tors. eta vs tors. theta energy: -5.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -87.491342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.491342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.491342 (E_RNA)
where:
Base-Base interactions energy: -37.692
where: short stacking energy: -37.056
Base-Backbone interact. energy: 1.070
local terms energy: -50.869535
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -13.652
flat angles C4'-P-C4' energy: -11.587
flat angles P-C4'-P energy: -7.321
tors. eta vs tors. theta energy: -3.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -87.082983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.082983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.082983 (E_RNA)
where:
Base-Base interactions energy: -46.614
where: short stacking energy: -16.426
Base-Backbone interact. energy: -0.269
local terms energy: -40.200179
where:
bonds (distance) C4'-P energy: -11.056
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -13.673
flat angles P-C4'-P energy: -3.325
tors. eta vs tors. theta energy: 1.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -79.889393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.889393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.889393 (E_RNA)
where:
Base-Base interactions energy: -32.709
where: short stacking energy: -32.709
Base-Backbone interact. energy: -0.533
local terms energy: -46.648106
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -6.738
flat angles P-C4'-P energy: -9.852
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: 9
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -197.171213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.171213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.171213 (E_RNA)
where:
Base-Base interactions energy: -130.608
where: short stacking energy: -63.933
Base-Backbone interact. energy: -0.692
local terms energy: -65.871783
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -14.161
flat angles C4'-P-C4' energy: -12.086
flat angles P-C4'-P energy: -10.074
tors. eta vs tors. theta energy: -15.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -208.037338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.037338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.037338 (E_RNA)
where:
Base-Base interactions energy: -141.393
where: short stacking energy: -62.730
Base-Backbone interact. energy: -0.024
local terms energy: -66.620205
where:
bonds (distance) C4'-P energy: -12.848
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -8.412
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: 3, replica: 7
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -184.819652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.819652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.819652 (E_RNA)
where:
Base-Base interactions energy: -125.562
where: short stacking energy: -47.893
Base-Backbone interact. energy: -0.790
local terms energy: -58.467705
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -13.440
flat angles C4'-P-C4' energy: -12.488
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: -7.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -173.280440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.280440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.280440 (E_RNA)
where:
Base-Base interactions energy: -109.742
where: short stacking energy: -62.794
Base-Backbone interact. energy: 0.011
local terms energy: -63.549440
where:
bonds (distance) C4'-P energy: -12.473
bonds (distance) P-C4' energy: -12.762
flat angles C4'-P-C4' energy: -16.571
flat angles P-C4'-P energy: -8.520
tors. eta vs tors. theta energy: -13.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -114.873228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.873228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.873228 (E_RNA)
where:
Base-Base interactions energy: -49.513
where: short stacking energy: -49.513
Base-Backbone interact. energy: -0.005
local terms energy: -65.355264
where:
bonds (distance) C4'-P energy: -12.547
bonds (distance) P-C4' energy: -13.409
flat angles C4'-P-C4' energy: -14.798
flat angles P-C4'-P energy: -12.043
tors. eta vs tors. theta energy: -12.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -98.170650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.170650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.170650 (E_RNA)
where:
Base-Base interactions energy: -50.066
where: short stacking energy: -33.525
Base-Backbone interact. energy: -0.167
local terms energy: -47.937633
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -11.051
flat angles C4'-P-C4' energy: -14.301
flat angles P-C4'-P energy: -8.226
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: 7, replica: 1
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -89.504824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.504824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.504824 (E_RNA)
where:
Base-Base interactions energy: -41.968
where: short stacking energy: -36.426
Base-Backbone interact. energy: 0.287
local terms energy: -47.824176
where:
bonds (distance) C4'-P energy: -10.560
bonds (distance) P-C4' energy: -13.228
flat angles C4'-P-C4' energy: -12.376
flat angles P-C4'-P energy: -7.837
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: 5
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -88.291600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.291600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.291600 (E_RNA)
where:
Base-Base interactions energy: -34.340
where: short stacking energy: -34.340
Base-Backbone interact. energy: -0.162
local terms energy: -53.788886
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -10.294
flat angles C4'-P-C4' energy: -16.535
flat angles P-C4'-P energy: -7.021
tors. eta vs tors. theta energy: -6.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -79.595492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.595492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.595492 (E_RNA)
where:
Base-Base interactions energy: -28.505
where: short stacking energy: -26.487
Base-Backbone interact. energy: -0.186
local terms energy: -50.904763
where:
bonds (distance) C4'-P energy: -12.638
bonds (distance) P-C4' energy: -14.292
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -7.978
tors. eta vs tors. theta energy: -2.281
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: 3
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -73.234664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.234664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.234664 (E_RNA)
where:
Base-Base interactions energy: -25.120
where: short stacking energy: -25.120
Base-Backbone interact. energy: 0.353
local terms energy: -48.468470
where:
bonds (distance) C4'-P energy: -14.038
bonds (distance) P-C4' energy: -15.217
flat angles C4'-P-C4' energy: -11.254
flat angles P-C4'-P energy: -9.360
tors. eta vs tors. theta energy: 1.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -200.655696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.655696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.655696 (E_RNA)
where:
Base-Base interactions energy: -135.736
where: short stacking energy: -57.033
Base-Backbone interact. energy: -0.004
local terms energy: -64.915123
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -15.701
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -6.773
tors. eta vs tors. theta energy: -15.318
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: 2
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -194.024115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.024115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.024115 (E_RNA)
where:
Base-Base interactions energy: -130.961
where: short stacking energy: -63.085
Base-Backbone interact. energy: -0.025
local terms energy: -63.037962
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -10.609
flat angles P-C4'-P energy: -9.610
tors. eta vs tors. theta energy: -14.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -187.954609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.954609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.954609 (E_RNA)
where:
Base-Base interactions energy: -121.901
where: short stacking energy: -59.592
Base-Backbone interact. energy: -0.154
local terms energy: -65.899227
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -11.924
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: 4, replica: 8
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -166.752939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.752939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.752939 (E_RNA)
where:
Base-Base interactions energy: -98.437
where: short stacking energy: -53.500
Base-Backbone interact. energy: -0.037
local terms energy: -68.279631
where:
bonds (distance) C4'-P energy: -14.864
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -17.515
flat angles P-C4'-P energy: -9.246
tors. eta vs tors. theta energy: -10.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -123.053239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.053239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.053239 (E_RNA)
where:
Base-Base interactions energy: -56.220
where: short stacking energy: -48.566
Base-Backbone interact. energy: 1.097
local terms energy: -67.930354
where:
bonds (distance) C4'-P energy: -14.511
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -10.847
tors. eta vs tors. theta energy: -11.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -100.696382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.696382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.696382 (E_RNA)
where:
Base-Base interactions energy: -36.886
where: short stacking energy: -36.886
Base-Backbone interact. energy: 0.088
local terms energy: -63.897627
where:
bonds (distance) C4'-P energy: -12.748
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -14.975
flat angles P-C4'-P energy: -12.483
tors. eta vs tors. theta energy: -7.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -103.857963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.857963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.857963 (E_RNA)
where:
Base-Base interactions energy: -44.095
where: short stacking energy: -38.674
Base-Backbone interact. energy: -0.282
local terms energy: -59.480267
where:
bonds (distance) C4'-P energy: -14.362
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -15.647
flat angles P-C4'-P energy: -7.570
tors. eta vs tors. theta energy: -8.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -84.998609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.998609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.998609 (E_RNA)
where:
Base-Base interactions energy: -33.452
where: short stacking energy: -33.452
Base-Backbone interact. energy: -0.019
local terms energy: -51.527556
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -13.796
flat angles P-C4'-P energy: -8.039
tors. eta vs tors. theta energy: -0.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -83.182273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.182273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.182273 (E_RNA)
where:
Base-Base interactions energy: -34.845
where: short stacking energy: -33.526
Base-Backbone interact. energy: -0.105
local terms energy: -48.232736
where:
bonds (distance) C4'-P energy: -11.987
bonds (distance) P-C4' energy: -11.244
flat angles C4'-P-C4' energy: -9.951
flat angles P-C4'-P energy: -7.594
tors. eta vs tors. theta energy: -7.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -80.451388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.451388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.451388 (E_RNA)
where:
Base-Base interactions energy: -40.988
where: short stacking energy: -23.984
Base-Backbone interact. energy: -0.183
local terms energy: -39.279955
where:
bonds (distance) C4'-P energy: -8.887
bonds (distance) P-C4' energy: -9.193
flat angles C4'-P-C4' energy: -12.460
flat angles P-C4'-P energy: -5.971
tors. eta vs tors. theta energy: -2.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -207.566876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.566876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.566876 (E_RNA)
where:
Base-Base interactions energy: -136.016
where: short stacking energy: -59.714
Base-Backbone interact. energy: -0.055
local terms energy: -71.495861
where:
bonds (distance) C4'-P energy: -16.016
bonds (distance) P-C4' energy: -15.584
flat angles C4'-P-C4' energy: -16.705
flat angles P-C4'-P energy: -8.008
tors. eta vs tors. theta energy: -15.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -197.557033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.557033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.557033 (E_RNA)
where:
Base-Base interactions energy: -130.419
where: short stacking energy: -57.357
Base-Backbone interact. energy: -0.205
local terms energy: -66.932469
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -17.700
flat angles C4'-P-C4' energy: -11.015
flat angles P-C4'-P energy: -6.911
tors. eta vs tors. theta energy: -16.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -199.528591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.528591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.528591 (E_RNA)
where:
Base-Base interactions energy: -132.053
where: short stacking energy: -49.477
Base-Backbone interact. energy: 0.158
local terms energy: -67.633000
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -14.128
flat angles C4'-P-C4' energy: -13.746
flat angles P-C4'-P energy: -10.154
tors. eta vs tors. theta energy: -15.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -164.381108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.381108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.381108 (E_RNA)
where:
Base-Base interactions energy: -93.925
where: short stacking energy: -60.222
Base-Backbone interact. energy: -0.593
local terms energy: -69.863945
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -8.053
tors. eta vs tors. theta energy: -14.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -111.877122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.877122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.877122 (E_RNA)
where:
Base-Base interactions energy: -49.037
where: short stacking energy: -44.823
Base-Backbone interact. energy: -0.043
local terms energy: -62.796802
where:
bonds (distance) C4'-P energy: -10.703
bonds (distance) P-C4' energy: -15.507
flat angles C4'-P-C4' energy: -12.741
flat angles P-C4'-P energy: -8.928
tors. eta vs tors. theta energy: -14.917
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: 10
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -97.980239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.980239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.980239 (E_RNA)
where:
Base-Base interactions energy: -42.213
where: short stacking energy: -39.521
Base-Backbone interact. energy: -0.050
local terms energy: -55.717167
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -7.520
flat angles P-C4'-P energy: -10.281
tors. eta vs tors. theta energy: -10.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -101.533383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.533383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.533383 (E_RNA)
where:
Base-Base interactions energy: -47.918
where: short stacking energy: -36.503
Base-Backbone interact. energy: -0.474
local terms energy: -53.141056
where:
bonds (distance) C4'-P energy: -7.946
bonds (distance) P-C4' energy: -15.926
flat angles C4'-P-C4' energy: -15.895
flat angles P-C4'-P energy: -4.557
tors. eta vs tors. theta energy: -8.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -101.818118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.818118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.818118 (E_RNA)
where:
Base-Base interactions energy: -41.857
where: short stacking energy: -32.690
Base-Backbone interact. energy: -0.079
local terms energy: -59.882037
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -12.824
flat angles P-C4'-P energy: -10.736
tors. eta vs tors. theta energy: -5.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -80.584092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.584092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.584092 (E_RNA)
where:
Base-Base interactions energy: -30.959
where: short stacking energy: -30.824
Base-Backbone interact. energy: -0.259
local terms energy: -49.366600
where:
bonds (distance) C4'-P energy: -13.255
bonds (distance) P-C4' energy: -9.321
flat angles C4'-P-C4' energy: -15.307
flat angles P-C4'-P energy: -9.295
tors. eta vs tors. theta energy: -2.190
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: 236
Temperature: 1.350000
Total energy: -82.464201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.464201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.464201 (E_RNA)
where:
Base-Base interactions energy: -31.133
where: short stacking energy: -31.009
Base-Backbone interact. energy: 0.175
local terms energy: -51.505655
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -12.460
flat angles C4'-P-C4' energy: -13.367
flat angles P-C4'-P energy: -5.613
tors. eta vs tors. theta energy: -3.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -201.688333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.688333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.688333 (E_RNA)
where:
Base-Base interactions energy: -128.752
where: short stacking energy: -57.977
Base-Backbone interact. energy: -0.014
local terms energy: -72.922074
where:
bonds (distance) C4'-P energy: -15.209
bonds (distance) P-C4' energy: -17.435
flat angles C4'-P-C4' energy: -14.202
flat angles P-C4'-P energy: -8.692
tors. eta vs tors. theta energy: -17.384
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: 7
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -203.993525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.993525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.993525 (E_RNA)
where:
Base-Base interactions energy: -136.624
where: short stacking energy: -60.583
Base-Backbone interact. energy: -0.457
local terms energy: -66.913030
where:
bonds (distance) C4'-P energy: -14.009
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -14.074
flat angles P-C4'-P energy: -11.819
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: 3, replica: 9
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -191.670483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.670483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.670483 (E_RNA)
where:
Base-Base interactions energy: -123.493
where: short stacking energy: -58.697
Base-Backbone interact. energy: -0.042
local terms energy: -68.135451
where:
bonds (distance) C4'-P energy: -13.491
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -13.536
flat angles P-C4'-P energy: -12.934
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: 237
Temperature: 1.050000
Total energy: -148.434486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.434486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.434486 (E_RNA)
where:
Base-Base interactions energy: -92.371
where: short stacking energy: -41.670
Base-Backbone interact. energy: -1.697
local terms energy: -54.365936
where:
bonds (distance) C4'-P energy: -11.448
bonds (distance) P-C4' energy: -14.033
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: -5.541
tors. eta vs tors. theta energy: -10.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -110.046527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.046527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.046527 (E_RNA)
where:
Base-Base interactions energy: -50.445
where: short stacking energy: -47.831
Base-Backbone interact. energy: -0.024
local terms energy: -59.577957
where:
bonds (distance) C4'-P energy: -10.862
bonds (distance) P-C4' energy: -15.211
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -7.588
tors. eta vs tors. theta energy: -10.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -98.907208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.907208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.907208 (E_RNA)
where:
Base-Base interactions energy: -42.968
where: short stacking energy: -37.004
Base-Backbone interact. energy: -0.019
local terms energy: -55.920037
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -14.049
flat angles C4'-P-C4' energy: -12.735
flat angles P-C4'-P energy: -6.456
tors. eta vs tors. theta energy: -6.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -88.106181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.106181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.106181 (E_RNA)
where:
Base-Base interactions energy: -31.244
where: short stacking energy: -31.244
Base-Backbone interact. energy: -0.025
local terms energy: -56.837303
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -11.055
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: -5.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -91.974201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.974201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.974201 (E_RNA)
where:
Base-Base interactions energy: -41.668
where: short stacking energy: -41.668
Base-Backbone interact. energy: 0.166
local terms energy: -50.471455
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -13.802
flat angles P-C4'-P energy: -4.158
tors. eta vs tors. theta energy: -6.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -81.227774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.227774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.227774 (E_RNA)
where:
Base-Base interactions energy: -29.646
where: short stacking energy: -27.116
Base-Backbone interact. energy: -0.131
local terms energy: -51.450981
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -12.055
flat angles C4'-P-C4' energy: -13.638
flat angles P-C4'-P energy: -8.488
tors. eta vs tors. theta energy: -2.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -90.696784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.696784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.696784 (E_RNA)
where:
Base-Base interactions energy: -49.091
where: short stacking energy: -38.543
Base-Backbone interact. energy: 1.860
local terms energy: -43.465831
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -14.683
flat angles C4'-P-C4' energy: -7.210
flat angles P-C4'-P energy: -5.214
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: 1, replica: 2
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -211.610960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.610960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.610960 (E_RNA)
where:
Base-Base interactions energy: -143.450
where: short stacking energy: -57.141
Base-Backbone interact. energy: -0.097
local terms energy: -68.063675
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -12.481
tors. eta vs tors. theta energy: -14.174
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: 7
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -188.816613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.816613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.816613 (E_RNA)
where:
Base-Base interactions energy: -123.189
where: short stacking energy: -59.179
Base-Backbone interact. energy: -0.707
local terms energy: -64.920469
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -16.491
flat angles C4'-P-C4' energy: -14.103
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -11.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -172.124511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.124511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.124511 (E_RNA)
where:
Base-Base interactions energy: -102.330
where: short stacking energy: -56.913
Base-Backbone interact. energy: -0.216
local terms energy: -69.578571
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -17.483
flat angles P-C4'-P energy: -7.468
tors. eta vs tors. theta energy: -13.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -188.205496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.205496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.205496 (E_RNA)
where:
Base-Base interactions energy: -125.076
where: short stacking energy: -58.113
Base-Backbone interact. energy: -1.778
local terms energy: -61.351897
where:
bonds (distance) C4'-P energy: -11.611
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -14.712
flat angles P-C4'-P energy: -7.049
tors. eta vs tors. theta energy: -14.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -114.969629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.969629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.969629 (E_RNA)
where:
Base-Base interactions energy: -54.223
where: short stacking energy: -41.946
Base-Backbone interact. energy: -0.094
local terms energy: -60.652882
where:
bonds (distance) C4'-P energy: -13.512
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -14.146
flat angles P-C4'-P energy: -5.299
tors. eta vs tors. theta energy: -10.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -112.523346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.523346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.523346 (E_RNA)
where:
Base-Base interactions energy: -53.313
where: short stacking energy: -40.663
Base-Backbone interact. energy: -0.315
local terms energy: -58.895002
where:
bonds (distance) C4'-P energy: -15.269
bonds (distance) P-C4' energy: -13.692
flat angles C4'-P-C4' energy: -12.219
flat angles P-C4'-P energy: -8.659
tors. eta vs tors. theta energy: -9.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -105.132736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.132736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.132736 (E_RNA)
where:
Base-Base interactions energy: -38.623
where: short stacking energy: -38.623
Base-Backbone interact. energy: -0.043
local terms energy: -66.466485
where:
bonds (distance) C4'-P energy: -13.686
bonds (distance) P-C4' energy: -17.782
flat angles C4'-P-C4' energy: -14.770
flat angles P-C4'-P energy: -11.957
tors. eta vs tors. theta energy: -8.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -87.104134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.104134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.104134 (E_RNA)
where:
Base-Base interactions energy: -38.344
where: short stacking energy: -27.884
Base-Backbone interact. energy: 0.046
local terms energy: -48.805887
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -10.625
flat angles P-C4'-P energy: -4.002
tors. eta vs tors. theta energy: -1.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -81.787646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.787646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.787646 (E_RNA)
where:
Base-Base interactions energy: -36.726
where: short stacking energy: -27.753
Base-Backbone interact. energy: 0.147
local terms energy: -45.208271
where:
bonds (distance) C4'-P energy: -8.596
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -4.883
tors. eta vs tors. theta energy: -2.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -77.676860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.676860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.676860 (E_RNA)
where:
Base-Base interactions energy: -42.281
where: short stacking energy: -31.952
Base-Backbone interact. energy: 2.421
local terms energy: -37.817424
where:
bonds (distance) C4'-P energy: -3.144
bonds (distance) P-C4' energy: -11.545
flat angles C4'-P-C4' energy: -15.449
flat angles P-C4'-P energy: -5.125
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: 1, replica: 2
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -216.821065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.821065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.821065 (E_RNA)
where:
Base-Base interactions energy: -142.931
where: short stacking energy: -66.283
Base-Backbone interact. energy: -0.005
local terms energy: -73.885726
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -15.132
flat angles P-C4'-P energy: -11.148
tors. eta vs tors. theta energy: -17.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -180.363067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.363067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.363067 (E_RNA)
where:
Base-Base interactions energy: -110.945
where: short stacking energy: -73.077
Base-Backbone interact. energy: 0.097
local terms energy: -69.514500
where:
bonds (distance) C4'-P energy: -12.888
bonds (distance) P-C4' energy: -12.737
flat angles C4'-P-C4' energy: -18.168
flat angles P-C4'-P energy: -7.449
tors. eta vs tors. theta energy: -18.272
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: 7
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -177.523279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.523279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.523279 (E_RNA)
where:
Base-Base interactions energy: -109.567
where: short stacking energy: -56.875
Base-Backbone interact. energy: -0.174
local terms energy: -67.782466
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -12.049
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: 9
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -190.442494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.442494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.442494 (E_RNA)
where:
Base-Base interactions energy: -123.332
where: short stacking energy: -54.392
Base-Backbone interact. energy: 0.255
local terms energy: -67.365562
where:
bonds (distance) C4'-P energy: -15.679
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -12.125
flat angles P-C4'-P energy: -9.100
tors. eta vs tors. theta energy: -15.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -105.876543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.876543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.876543 (E_RNA)
where:
Base-Base interactions energy: -49.078
where: short stacking energy: -38.974
Base-Backbone interact. energy: -0.824
local terms energy: -55.974062
where:
bonds (distance) C4'-P energy: -10.373
bonds (distance) P-C4' energy: -15.433
flat angles C4'-P-C4' energy: -15.989
flat angles P-C4'-P energy: -5.583
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: 6, replica: 1
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -102.771444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.771444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.771444 (E_RNA)
where:
Base-Base interactions energy: -46.735
where: short stacking energy: -37.925
Base-Backbone interact. energy: 2.112
local terms energy: -58.148642
where:
bonds (distance) C4'-P energy: -10.500
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -15.751
flat angles P-C4'-P energy: -6.906
tors. eta vs tors. theta energy: -9.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -103.692408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.692408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.692408 (E_RNA)
where:
Base-Base interactions energy: -42.580
where: short stacking energy: -36.045
Base-Backbone interact. energy: -0.078
local terms energy: -61.034244
where:
bonds (distance) C4'-P energy: -14.161
bonds (distance) P-C4' energy: -11.915
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -13.283
tors. eta vs tors. theta energy: -7.978
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: 10
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -127.264681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.264681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.264681 (E_RNA)
where:
Base-Base interactions energy: -72.389
where: short stacking energy: -40.907
Base-Backbone interact. energy: -0.014
local terms energy: -54.861458
where:
bonds (distance) C4'-P energy: -12.103
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -10.577
flat angles P-C4'-P energy: -9.691
tors. eta vs tors. theta energy: -8.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -83.942031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.942031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.942031 (E_RNA)
where:
Base-Base interactions energy: -35.448
where: short stacking energy: -34.379
Base-Backbone interact. energy: -0.048
local terms energy: -48.446177
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -7.977
flat angles C4'-P-C4' energy: -8.959
flat angles P-C4'-P energy: -10.401
tors. eta vs tors. theta energy: -6.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -76.139052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.139052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.139052 (E_RNA)
where:
Base-Base interactions energy: -30.611
where: short stacking energy: -24.618
Base-Backbone interact. energy: -0.161
local terms energy: -45.366979
where:
bonds (distance) C4'-P energy: -17.076
bonds (distance) P-C4' energy: -10.582
flat angles C4'-P-C4' energy: -10.536
flat angles P-C4'-P energy: -7.761
tors. eta vs tors. theta energy: 0.588
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: 8
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -182.370380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.370380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.370380 (E_RNA)
where:
Base-Base interactions energy: -113.500
where: short stacking energy: -60.276
Base-Backbone interact. energy: 0.036
local terms energy: -68.906634
where:
bonds (distance) C4'-P energy: -14.735
bonds (distance) P-C4' energy: -11.882
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -12.324
tors. eta vs tors. theta energy: -14.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -197.968816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.968816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.968816 (E_RNA)
where:
Base-Base interactions energy: -129.607
where: short stacking energy: -54.280
Base-Backbone interact. energy: -0.014
local terms energy: -68.348231
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -13.455
flat angles P-C4'-P energy: -11.368
tors. eta vs tors. theta energy: -13.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -184.880601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.880601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.880601 (E_RNA)
where:
Base-Base interactions energy: -114.551
where: short stacking energy: -62.598
Base-Backbone interact. energy: -0.043
local terms energy: -70.286309
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -15.345
flat angles C4'-P-C4' energy: -14.677
flat angles P-C4'-P energy: -9.646
tors. eta vs tors. theta energy: -17.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -170.731459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.731459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.731459 (E_RNA)
where:
Base-Base interactions energy: -111.477
where: short stacking energy: -45.532
Base-Backbone interact. energy: -2.356
local terms energy: -56.898293
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -11.597
flat angles P-C4'-P energy: -7.564
tors. eta vs tors. theta energy: -8.498
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: 1
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -99.068180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.068180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.068180 (E_RNA)
where:
Base-Base interactions energy: -38.852
where: short stacking energy: -33.547
Base-Backbone interact. energy: -1.250
local terms energy: -58.966100
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -16.509
flat angles P-C4'-P energy: -8.894
tors. eta vs tors. theta energy: -3.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -101.672102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.672102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.672102 (E_RNA)
where:
Base-Base interactions energy: -38.508
where: short stacking energy: -38.508
Base-Backbone interact. energy: -0.297
local terms energy: -62.866864
where:
bonds (distance) C4'-P energy: -12.247
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -14.209
flat angles P-C4'-P energy: -12.697
tors. eta vs tors. theta energy: -9.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -134.940192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.940192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.940192 (E_RNA)
where:
Base-Base interactions energy: -79.873
where: short stacking energy: -46.605
Base-Backbone interact. energy: 0.100
local terms energy: -55.166800
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -13.756
flat angles P-C4'-P energy: -8.350
tors. eta vs tors. theta energy: -6.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -92.426701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.426701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.426701 (E_RNA)
where:
Base-Base interactions energy: -39.792
where: short stacking energy: -39.792
Base-Backbone interact. energy: -0.040
local terms energy: -52.594679
where:
bonds (distance) C4'-P energy: -7.902
bonds (distance) P-C4' energy: -15.708
flat angles C4'-P-C4' energy: -7.072
flat angles P-C4'-P energy: -9.674
tors. eta vs tors. theta energy: -12.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -80.439245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.439245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.439245 (E_RNA)
where:
Base-Base interactions energy: -32.129
where: short stacking energy: -22.253
Base-Backbone interact. energy: -0.082
local terms energy: -48.227958
where:
bonds (distance) C4'-P energy: -9.834
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -13.398
flat angles P-C4'-P energy: -7.747
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: 10, replica: 5
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -82.596206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.596206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.596206 (E_RNA)
where:
Base-Base interactions energy: -35.778
where: short stacking energy: -35.458
Base-Backbone interact. energy: 0.048
local terms energy: -46.866849
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -9.023
flat angles P-C4'-P energy: -6.703
tors. eta vs tors. theta energy: -1.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -203.452717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.452717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.452717 (E_RNA)
where:
Base-Base interactions energy: -143.420
where: short stacking energy: -63.084
Base-Backbone interact. energy: -0.576
local terms energy: -59.456473
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -14.794
flat angles C4'-P-C4' energy: -9.046
flat angles P-C4'-P energy: -9.778
tors. eta vs tors. theta energy: -12.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -203.307133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.307133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.307133 (E_RNA)
where:
Base-Base interactions energy: -135.821
where: short stacking energy: -64.982
Base-Backbone interact. energy: -0.241
local terms energy: -67.245381
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -12.046
flat angles P-C4'-P energy: -9.237
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: 3, replica: 9
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -188.470257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.470257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.470257 (E_RNA)
where:
Base-Base interactions energy: -116.344
where: short stacking energy: -64.452
Base-Backbone interact. energy: -0.191
local terms energy: -71.935793
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -15.735
flat angles C4'-P-C4' energy: -14.129
flat angles P-C4'-P energy: -11.282
tors. eta vs tors. theta energy: -16.691
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: 7
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -181.029263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.029263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.029263 (E_RNA)
where:
Base-Base interactions energy: -119.865
where: short stacking energy: -40.183
Base-Backbone interact. energy: 0.740
local terms energy: -61.904255
where:
bonds (distance) C4'-P energy: -13.133
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -13.233
flat angles P-C4'-P energy: -9.476
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: 1
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -97.619480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.619480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.619480 (E_RNA)
where:
Base-Base interactions energy: -41.757
where: short stacking energy: -41.279
Base-Backbone interact. energy: -0.130
local terms energy: -55.732234
where:
bonds (distance) C4'-P energy: -12.286
bonds (distance) P-C4' energy: -15.324
flat angles C4'-P-C4' energy: -13.160
flat angles P-C4'-P energy: -10.136
tors. eta vs tors. theta energy: -4.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -142.459174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.459174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.459174 (E_RNA)
where:
Base-Base interactions energy: -86.660
where: short stacking energy: -46.009
Base-Backbone interact. energy: -0.211
local terms energy: -55.588422
where:
bonds (distance) C4'-P energy: -8.976
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -8.780
flat angles P-C4'-P energy: -10.475
tors. eta vs tors. theta energy: -10.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -96.411358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.411358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.411358 (E_RNA)
where:
Base-Base interactions energy: -35.396
where: short stacking energy: -35.119
Base-Backbone interact. energy: -0.154
local terms energy: -60.861374
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -15.738
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -6.802
tors. eta vs tors. theta energy: -7.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -100.332243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.332243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.332243 (E_RNA)
where:
Base-Base interactions energy: -43.186
where: short stacking energy: -34.785
Base-Backbone interact. energy: -0.411
local terms energy: -56.735394
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -15.886
flat angles C4'-P-C4' energy: -12.973
flat angles P-C4'-P energy: -8.382
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: 9, replica: 4
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -82.341481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.341481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.341481 (E_RNA)
where:
Base-Base interactions energy: -28.524
where: short stacking energy: -28.524
Base-Backbone interact. energy: -0.270
local terms energy: -53.547938
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -13.017
flat angles C4'-P-C4' energy: -10.938
flat angles P-C4'-P energy: -10.776
tors. eta vs tors. theta energy: -4.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -92.217422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.217422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.217422 (E_RNA)
where:
Base-Base interactions energy: -46.757
where: short stacking energy: -43.916
Base-Backbone interact. energy: -0.051
local terms energy: -45.409588
where:
bonds (distance) C4'-P energy: -10.353
bonds (distance) P-C4' energy: -12.114
flat angles C4'-P-C4' energy: -11.255
flat angles P-C4'-P energy: -5.962
tors. eta vs tors. theta energy: -5.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -206.321700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.321700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.321700 (E_RNA)
where:
Base-Base interactions energy: -136.356
where: short stacking energy: -60.617
Base-Backbone interact. energy: -0.006
local terms energy: -69.959403
where:
bonds (distance) C4'-P energy: -11.146
bonds (distance) P-C4' energy: -17.387
flat angles C4'-P-C4' energy: -14.372
flat angles P-C4'-P energy: -10.164
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: 2, replica: 8
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -211.400202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.400202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.400202 (E_RNA)
where:
Base-Base interactions energy: -147.634
where: short stacking energy: -59.646
Base-Backbone interact. energy: 0.253
local terms energy: -64.019474
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -12.246
flat angles C4'-P-C4' energy: -16.585
flat angles P-C4'-P energy: -11.832
tors. eta vs tors. theta energy: -9.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -181.968391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.968391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.968391 (E_RNA)
where:
Base-Base interactions energy: -113.102
where: short stacking energy: -59.076
Base-Backbone interact. energy: -0.025
local terms energy: -68.841597
where:
bonds (distance) C4'-P energy: -10.952
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -12.776
flat angles P-C4'-P energy: -8.883
tors. eta vs tors. theta energy: -18.500
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: 7
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -178.351653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.351653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.351653 (E_RNA)
where:
Base-Base interactions energy: -114.640
where: short stacking energy: -55.862
Base-Backbone interact. energy: 0.726
local terms energy: -64.438056
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -7.226
tors. eta vs tors. theta energy: -11.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -141.773546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.773546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.773546 (E_RNA)
where:
Base-Base interactions energy: -82.011
where: short stacking energy: -59.582
Base-Backbone interact. energy: -0.071
local terms energy: -59.691215
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -10.626
flat angles P-C4'-P energy: -8.086
tors. eta vs tors. theta energy: -13.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -101.721551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.721551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.721551 (E_RNA)
where:
Base-Base interactions energy: -43.815
where: short stacking energy: -36.286
Base-Backbone interact. energy: -0.803
local terms energy: -57.103574
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -10.942
flat angles C4'-P-C4' energy: -12.718
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -7.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -91.615019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.615019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.615019 (E_RNA)
where:
Base-Base interactions energy: -39.851
where: short stacking energy: -39.394
Base-Backbone interact. energy: -0.174
local terms energy: -51.590158
where:
bonds (distance) C4'-P energy: -8.613
bonds (distance) P-C4' energy: -12.640
flat angles C4'-P-C4' energy: -12.262
flat angles P-C4'-P energy: -9.921
tors. eta vs tors. theta energy: -8.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -87.538353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.538353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.538353 (E_RNA)
where:
Base-Base interactions energy: -34.579
where: short stacking energy: -24.933
Base-Backbone interact. energy: 0.098
local terms energy: -53.057416
where:
bonds (distance) C4'-P energy: -6.802
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -13.575
flat angles P-C4'-P energy: -10.749
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: 9, replica: 4
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -102.473074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.473074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.473074 (E_RNA)
where:
Base-Base interactions energy: -40.051
where: short stacking energy: -32.338
Base-Backbone interact. energy: -0.696
local terms energy: -61.726300
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -18.898
flat angles C4'-P-C4' energy: -14.182
flat angles P-C4'-P energy: -11.548
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: 10, replica: 5
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -79.567541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.567541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.567541 (E_RNA)
where:
Base-Base interactions energy: -35.858
where: short stacking energy: -31.040
Base-Backbone interact. energy: 0.416
local terms energy: -44.125102
where:
bonds (distance) C4'-P energy: -9.642
bonds (distance) P-C4' energy: -13.017
flat angles C4'-P-C4' energy: -7.713
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: -4.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -207.460013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.460013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.460013 (E_RNA)
where:
Base-Base interactions energy: -131.933
where: short stacking energy: -64.386
Base-Backbone interact. energy: -0.001
local terms energy: -75.525524
where:
bonds (distance) C4'-P energy: -14.580
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -14.844
flat angles P-C4'-P energy: -10.997
tors. eta vs tors. theta energy: -17.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -206.119696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.119696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.119696 (E_RNA)
where:
Base-Base interactions energy: -140.870
where: short stacking energy: -57.951
Base-Backbone interact. energy: -0.331
local terms energy: -64.919378
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -13.662
flat angles P-C4'-P energy: -9.177
tors. eta vs tors. theta energy: -13.166
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: 9
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -183.296142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.296142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.296142 (E_RNA)
where:
Base-Base interactions energy: -116.989
where: short stacking energy: -61.734
Base-Backbone interact. energy: -0.487
local terms energy: -65.819961
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -13.087
flat angles P-C4'-P energy: -8.491
tors. eta vs tors. theta energy: -13.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -167.828894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.828894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.828894 (E_RNA)
where:
Base-Base interactions energy: -104.733
where: short stacking energy: -63.408
Base-Backbone interact. energy: -0.020
local terms energy: -63.075565
where:
bonds (distance) C4'-P energy: -10.894
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -11.757
flat angles P-C4'-P energy: -9.237
tors. eta vs tors. theta energy: -14.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -126.779788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.779788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.779788 (E_RNA)
where:
Base-Base interactions energy: -74.717
where: short stacking energy: -36.731
Base-Backbone interact. energy: -0.170
local terms energy: -51.893185
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -10.056
flat angles P-C4'-P energy: -9.120
tors. eta vs tors. theta energy: -5.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -115.702080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.702080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.702080 (E_RNA)
where:
Base-Base interactions energy: -46.799
where: short stacking energy: -43.786
Base-Backbone interact. energy: -0.004
local terms energy: -68.899094
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -18.018
flat angles C4'-P-C4' energy: -13.005
flat angles P-C4'-P energy: -7.771
tors. eta vs tors. theta energy: -15.965
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: 1
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -94.626237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.626237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.626237 (E_RNA)
where:
Base-Base interactions energy: -47.318
where: short stacking energy: -47.318
Base-Backbone interact. energy: -0.107
local terms energy: -47.201901
where:
bonds (distance) C4'-P energy: -10.748
bonds (distance) P-C4' energy: -10.974
flat angles C4'-P-C4' energy: -11.459
flat angles P-C4'-P energy: -7.877
tors. eta vs tors. theta energy: -6.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -95.892324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.892324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.892324 (E_RNA)
where:
Base-Base interactions energy: -49.186
where: short stacking energy: -42.422
Base-Backbone interact. energy: -1.024
local terms energy: -45.681974
where:
bonds (distance) C4'-P energy: -12.093
bonds (distance) P-C4' energy: -13.157
flat angles C4'-P-C4' energy: -9.494
flat angles P-C4'-P energy: -6.903
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: 9, replica: 6
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -99.567572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.567572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.567572 (E_RNA)
where:
Base-Base interactions energy: -47.577
where: short stacking energy: -29.274
Base-Backbone interact. energy: -0.448
local terms energy: -51.543322
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -9.385
flat angles C4'-P-C4' energy: -7.445
flat angles P-C4'-P energy: -14.761
tors. eta vs tors. theta energy: -5.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -89.471120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.471120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.471120 (E_RNA)
where:
Base-Base interactions energy: -39.217
where: short stacking energy: -33.269
Base-Backbone interact. energy: -1.878
local terms energy: -48.376225
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -13.528
flat angles C4'-P-C4' energy: -11.703
flat angles P-C4'-P energy: -7.416
tors. eta vs tors. theta energy: -0.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -217.783069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.783069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.783069 (E_RNA)
where:
Base-Base interactions energy: -144.350
where: short stacking energy: -61.479
Base-Backbone interact. energy: -0.274
local terms energy: -73.159434
where:
bonds (distance) C4'-P energy: -13.286
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -17.680
flat angles P-C4'-P energy: -12.444
tors. eta vs tors. theta energy: -13.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -203.647335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.647335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.647335 (E_RNA)
where:
Base-Base interactions energy: -135.389
where: short stacking energy: -57.164
Base-Backbone interact. energy: -0.108
local terms energy: -68.150132
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -14.119
flat angles P-C4'-P energy: -11.117
tors. eta vs tors. theta energy: -13.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -185.805333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.805333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.805333 (E_RNA)
where:
Base-Base interactions energy: -129.788
where: short stacking energy: -64.795
Base-Backbone interact. energy: 0.036
local terms energy: -56.053225
where:
bonds (distance) C4'-P energy: -11.293
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -10.028
flat angles P-C4'-P energy: -10.875
tors. eta vs tors. theta energy: -10.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -185.417925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.417925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.417925 (E_RNA)
where:
Base-Base interactions energy: -120.564
where: short stacking energy: -58.330
Base-Backbone interact. energy: -0.480
local terms energy: -64.373785
where:
bonds (distance) C4'-P energy: -11.734
bonds (distance) P-C4' energy: -14.584
flat angles C4'-P-C4' energy: -17.516
flat angles P-C4'-P energy: -6.466
tors. eta vs tors. theta energy: -14.075
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: 10
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -96.258111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.258111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.258111 (E_RNA)
where:
Base-Base interactions energy: -37.594
where: short stacking energy: -32.958
Base-Backbone interact. energy: -0.436
local terms energy: -58.227704
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -13.975
flat angles C4'-P-C4' energy: -14.980
flat angles P-C4'-P energy: -9.616
tors. eta vs tors. theta energy: -6.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -106.217585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.217585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.217585 (E_RNA)
where:
Base-Base interactions energy: -51.702
where: short stacking energy: -37.943
Base-Backbone interact. energy: -0.086
local terms energy: -54.429401
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -14.315
flat angles C4'-P-C4' energy: -12.692
flat angles P-C4'-P energy: -8.893
tors. eta vs tors. theta energy: -5.262
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: 4
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -97.589572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.589572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.589572 (E_RNA)
where:
Base-Base interactions energy: -49.274
where: short stacking energy: -34.276
Base-Backbone interact. energy: -0.139
local terms energy: -48.176436
where:
bonds (distance) C4'-P energy: -9.946
bonds (distance) P-C4' energy: -16.032
flat angles C4'-P-C4' energy: -11.622
flat angles P-C4'-P energy: -8.042
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: 8, replica: 1
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -91.762802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.762802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.762802 (E_RNA)
where:
Base-Base interactions energy: -30.267
where: short stacking energy: -21.392
Base-Backbone interact. energy: -0.150
local terms energy: -61.345731
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -17.099
flat angles P-C4'-P energy: -13.935
tors. eta vs tors. theta energy: -1.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -87.153489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.153489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.153489 (E_RNA)
where:
Base-Base interactions energy: -35.788
where: short stacking energy: -29.061
Base-Backbone interact. energy: -0.350
local terms energy: -51.015846
where:
bonds (distance) C4'-P energy: -8.583
bonds (distance) P-C4' energy: -13.159
flat angles C4'-P-C4' energy: -15.082
flat angles P-C4'-P energy: -12.929
tors. eta vs tors. theta energy: -1.263
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: 10, replica: 6
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -77.531535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.531535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.531535 (E_RNA)
where:
Base-Base interactions energy: -31.406
where: short stacking energy: -21.581
Base-Backbone interact. energy: -1.184
local terms energy: -44.941304
where:
bonds (distance) C4'-P energy: -11.101
bonds (distance) P-C4' energy: -14.493
flat angles C4'-P-C4' energy: -8.881
flat angles P-C4'-P energy: -11.444
tors. eta vs tors. theta energy: 0.978
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: 1, replica: 8
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -212.314927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.314927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.314927 (E_RNA)
where:
Base-Base interactions energy: -147.914
where: short stacking energy: -68.240
Base-Backbone interact. energy: -0.618
local terms energy: -63.783780
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -9.192
tors. eta vs tors. theta energy: -13.180
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: 7
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -188.554661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.554661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.554661 (E_RNA)
where:
Base-Base interactions energy: -121.003
where: short stacking energy: -57.352
Base-Backbone interact. energy: -0.401
local terms energy: -67.151045
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -15.137
flat angles C4'-P-C4' energy: -17.112
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -9.806
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: 2
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -196.302203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.302203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.302203 (E_RNA)
where:
Base-Base interactions energy: -130.321
where: short stacking energy: -58.419
Base-Backbone interact. energy: -0.460
local terms energy: -65.521261
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -14.283
flat angles P-C4'-P energy: -10.569
tors. eta vs tors. theta energy: -14.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -169.184465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.184465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.184465 (E_RNA)
where:
Base-Base interactions energy: -100.211
where: short stacking energy: -56.367
Base-Backbone interact. energy: -0.211
local terms energy: -68.762239
where:
bonds (distance) C4'-P energy: -10.890
bonds (distance) P-C4' energy: -13.524
flat angles C4'-P-C4' energy: -17.181
flat angles P-C4'-P energy: -12.432
tors. eta vs tors. theta energy: -14.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -109.999917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.999917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.999917 (E_RNA)
where:
Base-Base interactions energy: -48.960
where: short stacking energy: -47.784
Base-Backbone interact. energy: -0.101
local terms energy: -60.938407
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -10.848
flat angles P-C4'-P energy: -9.631
tors. eta vs tors. theta energy: -14.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -98.328322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.328322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.328322 (E_RNA)
where:
Base-Base interactions energy: -48.443
where: short stacking energy: -44.082
Base-Backbone interact. energy: -0.006
local terms energy: -49.879353
where:
bonds (distance) C4'-P energy: -8.592
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -10.776
flat angles P-C4'-P energy: -6.859
tors. eta vs tors. theta energy: -10.807
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: 7, replica: 4
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -96.805714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.805714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.805714 (E_RNA)
where:
Base-Base interactions energy: -40.990
where: short stacking energy: -33.037
Base-Backbone interact. energy: -0.263
local terms energy: -55.552723
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -14.281
flat angles C4'-P-C4' energy: -14.528
flat angles P-C4'-P energy: -7.195
tors. eta vs tors. theta energy: -5.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -96.948652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.948652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.948652 (E_RNA)
where:
Base-Base interactions energy: -43.791
where: short stacking energy: -34.493
Base-Backbone interact. energy: -0.510
local terms energy: -52.647726
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -8.848
flat angles C4'-P-C4' energy: -13.131
flat angles P-C4'-P energy: -10.674
tors. eta vs tors. theta energy: -3.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -81.640417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.640417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.640417 (E_RNA)
where:
Base-Base interactions energy: -25.191
where: short stacking energy: -25.191
Base-Backbone interact. energy: -0.100
local terms energy: -56.349688
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -14.815
flat angles C4'-P-C4' energy: -13.346
flat angles P-C4'-P energy: -6.471
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: 6
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -79.039399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.039399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.039399 (E_RNA)
where:
Base-Base interactions energy: -34.681
where: short stacking energy: -25.725
Base-Backbone interact. energy: -0.052
local terms energy: -44.306395
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -12.584
flat angles C4'-P-C4' energy: -12.719
flat angles P-C4'-P energy: -5.982
tors. eta vs tors. theta energy: -0.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -215.457562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.457562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.457562 (E_RNA)
where:
Base-Base interactions energy: -153.833
where: short stacking energy: -66.203
Base-Backbone interact. energy: 0.763
local terms energy: -62.386883
where:
bonds (distance) C4'-P energy: -12.450
bonds (distance) P-C4' energy: -13.214
flat angles C4'-P-C4' energy: -13.859
flat angles P-C4'-P energy: -9.542
tors. eta vs tors. theta energy: -13.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -191.309554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.309554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.309554 (E_RNA)
where:
Base-Base interactions energy: -126.317
where: short stacking energy: -60.785
Base-Backbone interact. energy: -0.081
local terms energy: -64.911186
where:
bonds (distance) C4'-P energy: -8.978
bonds (distance) P-C4' energy: -16.011
flat angles C4'-P-C4' energy: -11.260
flat angles P-C4'-P energy: -10.888
tors. eta vs tors. theta energy: -17.775
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: 3, replica: 2
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -199.542249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.542249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.542249 (E_RNA)
where:
Base-Base interactions energy: -131.611
where: short stacking energy: -51.382
Base-Backbone interact. energy: -1.068
local terms energy: -66.863645
where:
bonds (distance) C4'-P energy: -15.813
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -8.072
tors. eta vs tors. theta energy: -11.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -199.422673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.422673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.422673 (E_RNA)
where:
Base-Base interactions energy: -129.226
where: short stacking energy: -62.350
Base-Backbone interact. energy: -0.021
local terms energy: -70.175386
where:
bonds (distance) C4'-P energy: -11.396
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -14.748
flat angles P-C4'-P energy: -9.815
tors. eta vs tors. theta energy: -17.831
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: 3
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -110.855181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.855181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.855181 (E_RNA)
where:
Base-Base interactions energy: -52.901
where: short stacking energy: -42.630
Base-Backbone interact. energy: 1.990
local terms energy: -59.943824
where:
bonds (distance) C4'-P energy: -12.090
bonds (distance) P-C4' energy: -17.782
flat angles C4'-P-C4' energy: -12.591
flat angles P-C4'-P energy: -9.698
tors. eta vs tors. theta energy: -7.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -116.385590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.385590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.385590 (E_RNA)
where:
Base-Base interactions energy: -62.574
where: short stacking energy: -39.932
Base-Backbone interact. energy: -0.220
local terms energy: -53.592154
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -11.107
flat angles C4'-P-C4' energy: -12.357
flat angles P-C4'-P energy: -4.696
tors. eta vs tors. theta energy: -11.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -110.320220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.320220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.320220 (E_RNA)
where:
Base-Base interactions energy: -50.087
where: short stacking energy: -34.204
Base-Backbone interact. energy: -0.540
local terms energy: -59.693111
where:
bonds (distance) C4'-P energy: -9.752
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -16.234
flat angles P-C4'-P energy: -13.481
tors. eta vs tors. theta energy: -7.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -93.565314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.565314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.565314 (E_RNA)
where:
Base-Base interactions energy: -38.002
where: short stacking energy: -36.647
Base-Backbone interact. energy: -0.843
local terms energy: -54.720041
where:
bonds (distance) C4'-P energy: -11.461
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -15.213
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -5.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -109.256472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.256472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.256472 (E_RNA)
where:
Base-Base interactions energy: -54.984
where: short stacking energy: -33.329
Base-Backbone interact. energy: -0.075
local terms energy: -54.197761
where:
bonds (distance) C4'-P energy: -10.663
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -10.620
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -6.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -81.636971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.636971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.636971 (E_RNA)
where:
Base-Base interactions energy: -27.539
where: short stacking energy: -27.539
Base-Backbone interact. energy: -0.089
local terms energy: -54.009486
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -9.795
flat angles C4'-P-C4' energy: -13.207
flat angles P-C4'-P energy: -13.355
tors. eta vs tors. theta energy: -5.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -225.108929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.108929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.108929 (E_RNA)
where:
Base-Base interactions energy: -154.204
where: short stacking energy: -63.411
Base-Backbone interact. energy: -0.244
local terms energy: -70.660576
where:
bonds (distance) C4'-P energy: -13.000
bonds (distance) P-C4' energy: -16.092
flat angles C4'-P-C4' energy: -16.186
flat angles P-C4'-P energy: -10.208
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: 7
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -205.535100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.535100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.535100 (E_RNA)
where:
Base-Base interactions energy: -126.898
where: short stacking energy: -76.689
Base-Backbone interact. energy: -0.005
local terms energy: -78.631952
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -14.777
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: 247
Temperature: 1.000000
Total energy: -185.109086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.109086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.109086 (E_RNA)
where:
Base-Base interactions energy: -117.356
where: short stacking energy: -61.264
Base-Backbone interact. energy: -0.001
local terms energy: -67.752071
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -14.463
flat angles P-C4'-P energy: -9.593
tors. eta vs tors. theta energy: -17.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -195.689282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.689282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.689282 (E_RNA)
where:
Base-Base interactions energy: -121.468
where: short stacking energy: -63.700
Base-Backbone interact. energy: -0.100
local terms energy: -74.121656
where:
bonds (distance) C4'-P energy: -14.403
bonds (distance) P-C4' energy: -12.719
flat angles C4'-P-C4' energy: -16.504
flat angles P-C4'-P energy: -10.330
tors. eta vs tors. theta energy: -20.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -126.126521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.126521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.126521 (E_RNA)
where:
Base-Base interactions energy: -72.345
where: short stacking energy: -46.515
Base-Backbone interact. energy: -0.022
local terms energy: -53.760208
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -13.245
flat angles C4'-P-C4' energy: -13.159
flat angles P-C4'-P energy: -3.064
tors. eta vs tors. theta energy: -8.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -116.704046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.704046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.704046 (E_RNA)
where:
Base-Base interactions energy: -50.977
where: short stacking energy: -37.406
Base-Backbone interact. energy: -0.072
local terms energy: -65.654485
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -16.162
flat angles P-C4'-P energy: -11.262
tors. eta vs tors. theta energy: -10.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -116.156925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.156925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.156925 (E_RNA)
where:
Base-Base interactions energy: -62.281
where: short stacking energy: -40.815
Base-Backbone interact. energy: 0.237
local terms energy: -54.112792
where:
bonds (distance) C4'-P energy: -9.440
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -16.550
flat angles P-C4'-P energy: -7.625
tors. eta vs tors. theta energy: -5.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -100.038806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.038806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.038806 (E_RNA)
where:
Base-Base interactions energy: -40.231
where: short stacking energy: -40.231
Base-Backbone interact. energy: -0.098
local terms energy: -59.709445
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -9.265
flat angles C4'-P-C4' energy: -15.016
flat angles P-C4'-P energy: -11.414
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: 9, replica: 6
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -89.471268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.471268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.471268 (E_RNA)
where:
Base-Base interactions energy: -32.975
where: short stacking energy: -32.543
Base-Backbone interact. energy: -0.036
local terms energy: -56.460149
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -10.518
flat angles C4'-P-C4' energy: -13.722
flat angles P-C4'-P energy: -8.403
tors. eta vs tors. theta energy: -8.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -75.697406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.697406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.697406 (E_RNA)
where:
Base-Base interactions energy: -31.446
where: short stacking energy: -17.990
Base-Backbone interact. energy: -0.117
local terms energy: -44.134513
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -17.137
flat angles C4'-P-C4' energy: -10.858
flat angles P-C4'-P energy: -6.386
tors. eta vs tors. theta energy: 4.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -217.769094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.769094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.769094 (E_RNA)
where:
Base-Base interactions energy: -151.595
where: short stacking energy: -57.178
Base-Backbone interact. energy: -0.075
local terms energy: -66.099043
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -12.395
flat angles P-C4'-P energy: -9.575
tors. eta vs tors. theta energy: -12.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -192.121813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.121813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.121813 (E_RNA)
where:
Base-Base interactions energy: -117.762
where: short stacking energy: -56.295
Base-Backbone interact. energy: 1.012
local terms energy: -75.371809
where:
bonds (distance) C4'-P energy: -17.754
bonds (distance) P-C4' energy: -15.583
flat angles C4'-P-C4' energy: -15.843
flat angles P-C4'-P energy: -11.913
tors. eta vs tors. theta energy: -14.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -172.401347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.401347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.401347 (E_RNA)
where:
Base-Base interactions energy: -99.702
where: short stacking energy: -49.351
Base-Backbone interact. energy: -0.165
local terms energy: -72.534311
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -15.388
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -11.149
tors. eta vs tors. theta energy: -15.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -184.525185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.525185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.525185 (E_RNA)
where:
Base-Base interactions energy: -117.775
where: short stacking energy: -48.170
Base-Backbone interact. energy: -0.067
local terms energy: -66.683733
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -12.221
flat angles P-C4'-P energy: -5.236
tors. eta vs tors. theta energy: -15.306
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: 3
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -152.268240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.268240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.268240 (E_RNA)
where:
Base-Base interactions energy: -86.377
where: short stacking energy: -49.415
Base-Backbone interact. energy: -0.740
local terms energy: -65.151519
where:
bonds (distance) C4'-P energy: -15.824
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -11.045
flat angles P-C4'-P energy: -14.017
tors. eta vs tors. theta energy: -11.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -107.059780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.059780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.059780 (E_RNA)
where:
Base-Base interactions energy: -48.823
where: short stacking energy: -39.829
Base-Backbone interact. energy: -0.130
local terms energy: -58.107668
where:
bonds (distance) C4'-P energy: -15.977
bonds (distance) P-C4' energy: -17.405
flat angles C4'-P-C4' energy: -10.041
flat angles P-C4'-P energy: -9.775
tors. eta vs tors. theta energy: -4.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -106.125698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.125698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.125698 (E_RNA)
where:
Base-Base interactions energy: -49.441
where: short stacking energy: -27.755
Base-Backbone interact. energy: -2.622
local terms energy: -54.062433
where:
bonds (distance) C4'-P energy: -11.961
bonds (distance) P-C4' energy: -14.548
flat angles C4'-P-C4' energy: -14.034
flat angles P-C4'-P energy: -11.302
tors. eta vs tors. theta energy: -2.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -97.660769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.660769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.660769 (E_RNA)
where:
Base-Base interactions energy: -42.407
where: short stacking energy: -39.407
Base-Backbone interact. energy: -0.000
local terms energy: -55.253685
where:
bonds (distance) C4'-P energy: -11.987
bonds (distance) P-C4' energy: -11.754
flat angles C4'-P-C4' energy: -13.899
flat angles P-C4'-P energy: -5.208
tors. eta vs tors. theta energy: -12.406
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: 248
Temperature: 1.300000
Total energy: -79.080880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.080880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.080880 (E_RNA)
where:
Base-Base interactions energy: -39.973
where: short stacking energy: -38.740
Base-Backbone interact. energy: -0.101
local terms energy: -39.007054
where:
bonds (distance) C4'-P energy: -9.172
bonds (distance) P-C4' energy: -12.016
flat angles C4'-P-C4' energy: -8.360
flat angles P-C4'-P energy: -5.621
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: 10, replica: 6
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -73.540055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.540055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.540055 (E_RNA)
where:
Base-Base interactions energy: -30.778
where: short stacking energy: -16.622
Base-Backbone interact. energy: -0.401
local terms energy: -42.360975
where:
bonds (distance) C4'-P energy: -9.713
bonds (distance) P-C4' energy: -15.367
flat angles C4'-P-C4' energy: -8.848
flat angles P-C4'-P energy: -9.791
tors. eta vs tors. theta energy: 1.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -209.469677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.469677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.469677 (E_RNA)
where:
Base-Base interactions energy: -142.636
where: short stacking energy: -63.281
Base-Backbone interact. energy: 0.437
local terms energy: -67.270318
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -14.676
flat angles P-C4'-P energy: -12.419
tors. eta vs tors. theta energy: -8.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -203.265223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.265223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.265223 (E_RNA)
where:
Base-Base interactions energy: -136.149
where: short stacking energy: -61.693
Base-Backbone interact. energy: -0.018
local terms energy: -67.097622
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -13.059
flat angles C4'-P-C4' energy: -12.431
flat angles P-C4'-P energy: -12.260
tors. eta vs tors. theta energy: -14.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -176.323980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.323980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.323980 (E_RNA)
where:
Base-Base interactions energy: -108.644
where: short stacking energy: -49.179
Base-Backbone interact. energy: -2.439
local terms energy: -65.241034
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -11.462
tors. eta vs tors. theta energy: -11.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -171.738056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.738056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.738056 (E_RNA)
where:
Base-Base interactions energy: -109.125
where: short stacking energy: -57.598
Base-Backbone interact. energy: -0.030
local terms energy: -62.582444
where:
bonds (distance) C4'-P energy: -11.043
bonds (distance) P-C4' energy: -13.574
flat angles C4'-P-C4' energy: -15.558
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -12.267
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: 3
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -157.641108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.641108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.641108 (E_RNA)
where:
Base-Base interactions energy: -99.455
where: short stacking energy: -57.183
Base-Backbone interact. energy: -0.072
local terms energy: -58.114704
where:
bonds (distance) C4'-P energy: -10.828
bonds (distance) P-C4' energy: -4.900
flat angles C4'-P-C4' energy: -16.661
flat angles P-C4'-P energy: -9.570
tors. eta vs tors. theta energy: -16.156
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: 10
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -99.573237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.573237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.573237 (E_RNA)
where:
Base-Base interactions energy: -50.521
where: short stacking energy: -37.307
Base-Backbone interact. energy: -0.199
local terms energy: -48.853341
where:
bonds (distance) C4'-P energy: -10.927
bonds (distance) P-C4' energy: -12.948
flat angles C4'-P-C4' energy: -8.896
flat angles P-C4'-P energy: -8.418
tors. eta vs tors. theta energy: -7.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -99.286963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.286963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.286963 (E_RNA)
where:
Base-Base interactions energy: -36.470
where: short stacking energy: -36.553
Base-Backbone interact. energy: -0.040
local terms energy: -62.776331
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -15.267
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -7.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -85.847683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.847683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.847683 (E_RNA)
where:
Base-Base interactions energy: -32.302
where: short stacking energy: -30.408
Base-Backbone interact. energy: 0.841
local terms energy: -54.386400
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -7.875
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -10.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -87.211760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.211760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.211760 (E_RNA)
where:
Base-Base interactions energy: -33.229
where: short stacking energy: -33.229
Base-Backbone interact. energy: -0.040
local terms energy: -53.942035
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -11.700
flat angles C4'-P-C4' energy: -14.179
flat angles P-C4'-P energy: -7.086
tors. eta vs tors. theta energy: -4.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -85.684253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.684253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.684253 (E_RNA)
where:
Base-Base interactions energy: -38.148
where: short stacking energy: -30.921
Base-Backbone interact. energy: -0.164
local terms energy: -47.371681
where:
bonds (distance) C4'-P energy: -11.545
bonds (distance) P-C4' energy: -10.690
flat angles C4'-P-C4' energy: -9.321
flat angles P-C4'-P energy: -9.050
tors. eta vs tors. theta energy: -6.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -202.315262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.315262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.315262 (E_RNA)
where:
Base-Base interactions energy: -124.598
where: short stacking energy: -59.663
Base-Backbone interact. energy: -0.002
local terms energy: -77.715442
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -16.157
flat angles P-C4'-P energy: -11.141
tors. eta vs tors. theta energy: -16.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -206.195433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.195433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.195433 (E_RNA)
where:
Base-Base interactions energy: -146.121
where: short stacking energy: -54.353
Base-Backbone interact. energy: 0.299
local terms energy: -60.373871
where:
bonds (distance) C4'-P energy: -9.898
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -17.095
flat angles P-C4'-P energy: -8.931
tors. eta vs tors. theta energy: -8.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -172.208110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.208110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.208110 (E_RNA)
where:
Base-Base interactions energy: -106.739
where: short stacking energy: -52.515
Base-Backbone interact. energy: -0.088
local terms energy: -65.380780
where:
bonds (distance) C4'-P energy: -15.062
bonds (distance) P-C4' energy: -12.892
flat angles C4'-P-C4' energy: -14.803
flat angles P-C4'-P energy: -9.554
tors. eta vs tors. theta energy: -13.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -192.235903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.235903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.235903 (E_RNA)
where:
Base-Base interactions energy: -122.597
where: short stacking energy: -57.709
Base-Backbone interact. energy: -0.180
local terms energy: -69.458762
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -14.399
flat angles P-C4'-P energy: -9.393
tors. eta vs tors. theta energy: -13.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -93.050520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.050520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.050520 (E_RNA)
where:
Base-Base interactions energy: -48.164
where: short stacking energy: -37.173
Base-Backbone interact. energy: -0.175
local terms energy: -44.711295
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -11.293
flat angles C4'-P-C4' energy: -11.324
flat angles P-C4'-P energy: -3.674
tors. eta vs tors. theta energy: -5.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -153.731827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.731827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.731827 (E_RNA)
where:
Base-Base interactions energy: -87.247
where: short stacking energy: -43.369
Base-Backbone interact. energy: -0.195
local terms energy: -66.289103
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -14.365
flat angles C4'-P-C4' energy: -13.071
flat angles P-C4'-P energy: -9.451
tors. eta vs tors. theta energy: -13.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -101.149061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.149061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.149061 (E_RNA)
where:
Base-Base interactions energy: -43.579
where: short stacking energy: -38.961
Base-Backbone interact. energy: -0.109
local terms energy: -57.460741
where:
bonds (distance) C4'-P energy: -13.607
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -12.320
flat angles P-C4'-P energy: -8.602
tors. eta vs tors. theta energy: -7.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -92.824716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.824716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.824716 (E_RNA)
where:
Base-Base interactions energy: -41.754
where: short stacking energy: -41.754
Base-Backbone interact. energy: -0.140
local terms energy: -50.929935
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -14.108
flat angles C4'-P-C4' energy: -11.370
flat angles P-C4'-P energy: -8.830
tors. eta vs tors. theta energy: -4.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -80.899993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.899993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.899993 (E_RNA)
where:
Base-Base interactions energy: -38.729
where: short stacking energy: -26.417
Base-Backbone interact. energy: -0.820
local terms energy: -41.351068
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -5.952
flat angles P-C4'-P energy: -4.146
tors. eta vs tors. theta energy: -4.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -75.599574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.599574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.599574 (E_RNA)
where:
Base-Base interactions energy: -26.935
where: short stacking energy: -24.411
Base-Backbone interact. energy: -0.107
local terms energy: -48.557416
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -12.620
flat angles P-C4'-P energy: -4.345
tors. eta vs tors. theta energy: -1.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -214.310826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.310826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.310826 (E_RNA)
where:
Base-Base interactions energy: -149.041
where: short stacking energy: -65.836
Base-Backbone interact. energy: -0.095
local terms energy: -65.175191
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -11.180
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -11.067
tors. eta vs tors. theta energy: -13.312
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: 8
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -201.528546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.528546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.528546 (E_RNA)
where:
Base-Base interactions energy: -133.198
where: short stacking energy: -56.817
Base-Backbone interact. energy: 0.024
local terms energy: -68.354436
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -18.602
flat angles P-C4'-P energy: -5.776
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: 3, replica: 9
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -189.229687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.229687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.229687 (E_RNA)
where:
Base-Base interactions energy: -116.116
where: short stacking energy: -68.577
Base-Backbone interact. energy: -1.022
local terms energy: -72.092396
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -10.287
flat angles C4'-P-C4' energy: -16.000
flat angles P-C4'-P energy: -9.991
tors. eta vs tors. theta energy: -19.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -191.610579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.610579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.610579 (E_RNA)
where:
Base-Base interactions energy: -123.999
where: short stacking energy: -54.675
Base-Backbone interact. energy: -0.214
local terms energy: -67.397594
where:
bonds (distance) C4'-P energy: -12.377
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -16.503
flat angles P-C4'-P energy: -9.950
tors. eta vs tors. theta energy: -14.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -107.484338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.484338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.484338 (E_RNA)
where:
Base-Base interactions energy: -45.156
where: short stacking energy: -41.071
Base-Backbone interact. energy: -0.211
local terms energy: -62.117314
where:
bonds (distance) C4'-P energy: -10.375
bonds (distance) P-C4' energy: -16.499
flat angles C4'-P-C4' energy: -13.008
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: -10.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -135.460074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.460074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.460074 (E_RNA)
where:
Base-Base interactions energy: -81.694
where: short stacking energy: -45.795
Base-Backbone interact. energy: -0.442
local terms energy: -53.323913
where:
bonds (distance) C4'-P energy: -11.366
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -10.618
flat angles P-C4'-P energy: -5.220
tors. eta vs tors. theta energy: -9.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -91.837932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.837932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.837932 (E_RNA)
where:
Base-Base interactions energy: -40.252
where: short stacking energy: -36.251
Base-Backbone interact. energy: -0.215
local terms energy: -51.371164
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -15.545
flat angles P-C4'-P energy: -3.781
tors. eta vs tors. theta energy: -3.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -86.596936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.596936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.596936 (E_RNA)
where:
Base-Base interactions energy: -38.711
where: short stacking energy: -33.529
Base-Backbone interact. energy: -0.098
local terms energy: -47.787192
where:
bonds (distance) C4'-P energy: -11.437
bonds (distance) P-C4' energy: -15.678
flat angles C4'-P-C4' energy: -8.354
flat angles P-C4'-P energy: -7.672
tors. eta vs tors. theta energy: -4.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -95.198228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.198228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.198228 (E_RNA)
where:
Base-Base interactions energy: -43.717
where: short stacking energy: -43.302
Base-Backbone interact. energy: -0.053
local terms energy: -51.428198
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -9.516
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -7.636
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: 10, replica: 1
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -89.555040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.555040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.555040 (E_RNA)
where:
Base-Base interactions energy: -34.661
where: short stacking energy: -34.661
Base-Backbone interact. energy: -0.110
local terms energy: -54.784203
where:
bonds (distance) C4'-P energy: -12.165
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -6.890
tors. eta vs tors. theta energy: -3.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -204.956918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.956918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.956918 (E_RNA)
where:
Base-Base interactions energy: -139.259
where: short stacking energy: -59.961
Base-Backbone interact. energy: -0.411
local terms energy: -65.287410
where:
bonds (distance) C4'-P energy: -11.845
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -14.795
flat angles P-C4'-P energy: -7.742
tors. eta vs tors. theta energy: -12.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -200.652140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.652140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.652140 (E_RNA)
where:
Base-Base interactions energy: -133.410
where: short stacking energy: -54.613
Base-Backbone interact. energy: -0.013
local terms energy: -67.229356
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -14.717
flat angles P-C4'-P energy: -6.652
tors. eta vs tors. theta energy: -15.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -187.704660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.704660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.704660 (E_RNA)
where:
Base-Base interactions energy: -119.120
where: short stacking energy: -57.065
Base-Backbone interact. energy: -0.918
local terms energy: -67.666706
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: -15.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -177.944766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.944766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.944766 (E_RNA)
where:
Base-Base interactions energy: -115.644
where: short stacking energy: -49.702
Base-Backbone interact. energy: -0.403
local terms energy: -61.898572
where:
bonds (distance) C4'-P energy: -9.222
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -16.937
flat angles P-C4'-P energy: -8.209
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: 5, replica: 3
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -148.860815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.860815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.860815 (E_RNA)
where:
Base-Base interactions energy: -93.906
where: short stacking energy: -49.955
Base-Backbone interact. energy: -0.262
local terms energy: -54.692844
where:
bonds (distance) C4'-P energy: -7.171
bonds (distance) P-C4' energy: -13.773
flat angles C4'-P-C4' energy: -10.945
flat angles P-C4'-P energy: -11.574
tors. eta vs tors. theta energy: -11.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -106.692852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.692852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.692852 (E_RNA)
where:
Base-Base interactions energy: -49.112
where: short stacking energy: -49.112
Base-Backbone interact. energy: 0.787
local terms energy: -58.368269
where:
bonds (distance) C4'-P energy: -11.856
bonds (distance) P-C4' energy: -13.927
flat angles C4'-P-C4' energy: -10.343
flat angles P-C4'-P energy: -9.683
tors. eta vs tors. theta energy: -12.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -94.116664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.116664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.116664 (E_RNA)
where:
Base-Base interactions energy: -41.010
where: short stacking energy: -31.779
Base-Backbone interact. energy: -0.072
local terms energy: -53.034958
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -13.563
flat angles C4'-P-C4' energy: -9.496
flat angles P-C4'-P energy: -11.133
tors. eta vs tors. theta energy: -5.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -94.411786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.411786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.411786 (E_RNA)
where:
Base-Base interactions energy: -39.362
where: short stacking energy: -39.362
Base-Backbone interact. energy: 0.190
local terms energy: -55.240119
where:
bonds (distance) C4'-P energy: -12.651
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -8.869
flat angles P-C4'-P energy: -9.309
tors. eta vs tors. theta energy: -6.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -88.375364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.375364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.375364 (E_RNA)
where:
Base-Base interactions energy: -35.805
where: short stacking energy: -31.923
Base-Backbone interact. energy: -0.232
local terms energy: -52.338286
where:
bonds (distance) C4'-P energy: -10.542
bonds (distance) P-C4' energy: -13.066
flat angles C4'-P-C4' energy: -13.710
flat angles P-C4'-P energy: -11.957
tors. eta vs tors. theta energy: -3.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -76.183299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.183299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.183299 (E_RNA)
where:
Base-Base interactions energy: -33.661
where: short stacking energy: -13.414
Base-Backbone interact. energy: -0.230
local terms energy: -42.292650
where:
bonds (distance) C4'-P energy: -14.356
bonds (distance) P-C4' energy: -12.359
flat angles C4'-P-C4' energy: -13.306
flat angles P-C4'-P energy: -5.880
tors. eta vs tors. theta energy: 3.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -223.196695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.196695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.196695 (E_RNA)
where:
Base-Base interactions energy: -145.848
where: short stacking energy: -61.411
Base-Backbone interact. energy: -0.404
local terms energy: -76.945184
where:
bonds (distance) C4'-P energy: -17.266
bonds (distance) P-C4' energy: -18.466
flat angles C4'-P-C4' energy: -17.303
flat angles P-C4'-P energy: -11.051
tors. eta vs tors. theta energy: -12.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -198.402728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.402728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.402728 (E_RNA)
where:
Base-Base interactions energy: -121.423
where: short stacking energy: -56.000
Base-Backbone interact. energy: 0.462
local terms energy: -77.441619
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -13.938
flat angles P-C4'-P energy: -14.229
tors. eta vs tors. theta energy: -16.295
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: 7
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -196.476243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.476243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.476243 (E_RNA)
where:
Base-Base interactions energy: -120.726
where: short stacking energy: -64.204
Base-Backbone interact. energy: -0.578
local terms energy: -75.171819
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -16.935
flat angles C4'-P-C4' energy: -16.020
flat angles P-C4'-P energy: -9.331
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: 253
Temperature: 1.050000
Total energy: -189.552613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.552613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.552613 (E_RNA)
where:
Base-Base interactions energy: -119.851
where: short stacking energy: -54.318
Base-Backbone interact. energy: 0.876
local terms energy: -70.577791
where:
bonds (distance) C4'-P energy: -16.014
bonds (distance) P-C4' energy: -15.979
flat angles C4'-P-C4' energy: -16.156
flat angles P-C4'-P energy: -7.948
tors. eta vs tors. theta energy: -14.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -147.117222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.117222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.117222 (E_RNA)
where:
Base-Base interactions energy: -85.478
where: short stacking energy: -47.468
Base-Backbone interact. energy: -0.012
local terms energy: -61.627015
where:
bonds (distance) C4'-P energy: -8.894
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -12.547
flat angles P-C4'-P energy: -13.382
tors. eta vs tors. theta energy: -11.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -93.799051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.799051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.799051 (E_RNA)
where:
Base-Base interactions energy: -38.224
where: short stacking energy: -32.950
Base-Backbone interact. energy: -0.123
local terms energy: -55.452372
where:
bonds (distance) C4'-P energy: -16.509
bonds (distance) P-C4' energy: -15.383
flat angles C4'-P-C4' energy: -11.609
flat angles P-C4'-P energy: -7.402
tors. eta vs tors. theta energy: -4.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -91.863891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.863891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.863891 (E_RNA)
where:
Base-Base interactions energy: -36.957
where: short stacking energy: -33.459
Base-Backbone interact. energy: -0.067
local terms energy: -54.839518
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -13.829
flat angles C4'-P-C4' energy: -18.432
flat angles P-C4'-P energy: -5.831
tors. eta vs tors. theta energy: -3.174
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: 8, replica: 4
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -89.407903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.407903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.407903 (E_RNA)
where:
Base-Base interactions energy: -42.241
where: short stacking energy: -23.846
Base-Backbone interact. energy: -0.128
local terms energy: -47.038715
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -12.175
flat angles C4'-P-C4' energy: -9.315
flat angles P-C4'-P energy: -8.848
tors. eta vs tors. theta energy: -0.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -89.431257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.431257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.431257 (E_RNA)
where:
Base-Base interactions energy: -50.179
where: short stacking energy: -28.808
Base-Backbone interact. energy: -0.128
local terms energy: -39.123475
where:
bonds (distance) C4'-P energy: -9.893
bonds (distance) P-C4' energy: -12.758
flat angles C4'-P-C4' energy: -6.740
flat angles P-C4'-P energy: -5.250
tors. eta vs tors. theta energy: -4.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -72.755046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.755046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.755046 (E_RNA)
where:
Base-Base interactions energy: -30.339
where: short stacking energy: -23.095
Base-Backbone interact. energy: -0.092
local terms energy: -42.323643
where:
bonds (distance) C4'-P energy: -11.010
bonds (distance) P-C4' energy: -15.837
flat angles C4'-P-C4' energy: -11.852
flat angles P-C4'-P energy: -4.938
tors. eta vs tors. theta energy: 1.313
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: 254
Temperature: 0.900000
Total energy: -203.302159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.302159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.302159 (E_RNA)
where:
Base-Base interactions energy: -136.779
where: short stacking energy: -65.118
Base-Backbone interact. energy: -0.145
local terms energy: -66.378964
where:
bonds (distance) C4'-P energy: -16.356
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -11.320
flat angles P-C4'-P energy: -10.101
tors. eta vs tors. theta energy: -14.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -211.190273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.190273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.190273 (E_RNA)
where:
Base-Base interactions energy: -143.490
where: short stacking energy: -68.098
Base-Backbone interact. energy: -0.223
local terms energy: -67.477720
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -12.221
flat angles P-C4'-P energy: -11.964
tors. eta vs tors. theta energy: -12.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -185.317986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.317986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.317986 (E_RNA)
where:
Base-Base interactions energy: -111.666
where: short stacking energy: -57.749
Base-Backbone interact. energy: -0.109
local terms energy: -73.543099
where:
bonds (distance) C4'-P energy: -12.851
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -16.364
flat angles P-C4'-P energy: -9.895
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: 4, replica: 7
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -184.374697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.374697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.374697 (E_RNA)
where:
Base-Base interactions energy: -118.830
where: short stacking energy: -64.233
Base-Backbone interact. energy: -0.058
local terms energy: -65.486107
where:
bonds (distance) C4'-P energy: -12.344
bonds (distance) P-C4' energy: -15.778
flat angles C4'-P-C4' energy: -12.011
flat angles P-C4'-P energy: -6.421
tors. eta vs tors. theta energy: -18.931
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: 5, replica: 3
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -166.048572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.048572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.048572 (E_RNA)
where:
Base-Base interactions energy: -92.772
where: short stacking energy: -57.545
Base-Backbone interact. energy: -0.108
local terms energy: -73.168481
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -16.992
flat angles C4'-P-C4' energy: -16.576
flat angles P-C4'-P energy: -7.037
tors. eta vs tors. theta energy: -16.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -88.337637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.337637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.337637 (E_RNA)
where:
Base-Base interactions energy: -33.910
where: short stacking energy: -32.801
Base-Backbone interact. energy: 0.825
local terms energy: -55.252909
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -14.821
flat angles P-C4'-P energy: -11.191
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: 7, replica: 4
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -104.276403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.276403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.276403 (E_RNA)
where:
Base-Base interactions energy: -42.335
where: short stacking energy: -41.354
Base-Backbone interact. energy: -0.065
local terms energy: -61.876261
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -12.953
flat angles P-C4'-P energy: -9.839
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: 8, replica: 10
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -86.422636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.422636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.422636 (E_RNA)
where:
Base-Base interactions energy: -28.466
where: short stacking energy: -26.809
Base-Backbone interact. energy: -0.309
local terms energy: -57.648363
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -13.077
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -9.727
tors. eta vs tors. theta energy: -5.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -84.266209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.266209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.266209 (E_RNA)
where:
Base-Base interactions energy: -32.324
where: short stacking energy: -32.465
Base-Backbone interact. energy: 0.297
local terms energy: -52.239592
where:
bonds (distance) C4'-P energy: -13.779
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -8.502
flat angles P-C4'-P energy: -12.681
tors. eta vs tors. theta energy: -1.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -80.519273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.519273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.519273 (E_RNA)
where:
Base-Base interactions energy: -38.370
where: short stacking energy: -28.280
Base-Backbone interact. energy: -0.455
local terms energy: -41.694365
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -9.502
flat angles C4'-P-C4' energy: -4.592
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -2.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -203.253659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.253659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.253659 (E_RNA)
where:
Base-Base interactions energy: -126.288
where: short stacking energy: -61.111
Base-Backbone interact. energy: -0.422
local terms energy: -76.542938
where:
bonds (distance) C4'-P energy: -10.920
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -18.094
flat angles P-C4'-P energy: -10.414
tors. eta vs tors. theta energy: -20.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -206.181050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.181050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.181050 (E_RNA)
where:
Base-Base interactions energy: -135.837
where: short stacking energy: -59.175
Base-Backbone interact. energy: -0.622
local terms energy: -69.722537
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -12.831
flat angles C4'-P-C4' energy: -17.061
flat angles P-C4'-P energy: -12.143
tors. eta vs tors. theta energy: -12.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -187.859745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.859745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.859745 (E_RNA)
where:
Base-Base interactions energy: -121.781
where: short stacking energy: -54.975
Base-Backbone interact. energy: -0.123
local terms energy: -65.955380
where:
bonds (distance) C4'-P energy: -16.943
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -14.685
flat angles P-C4'-P energy: -11.695
tors. eta vs tors. theta energy: -7.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -169.334545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.334545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.334545 (E_RNA)
where:
Base-Base interactions energy: -95.788
where: short stacking energy: -58.888
Base-Backbone interact. energy: -0.101
local terms energy: -73.445090
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -17.361
flat angles C4'-P-C4' energy: -13.817
flat angles P-C4'-P energy: -10.572
tors. eta vs tors. theta energy: -18.051
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: 7
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -156.535756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.535756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.535756 (E_RNA)
where:
Base-Base interactions energy: -95.614
where: short stacking energy: -42.652
Base-Backbone interact. energy: -0.654
local terms energy: -60.267840
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -13.181
flat angles C4'-P-C4' energy: -15.903
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: -8.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -103.204889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.204889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.204889 (E_RNA)
where:
Base-Base interactions energy: -41.430
where: short stacking energy: -39.851
Base-Backbone interact. energy: 0.387
local terms energy: -62.161643
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -15.263
flat angles P-C4'-P energy: -7.157
tors. eta vs tors. theta energy: -9.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -88.516216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.516216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.516216 (E_RNA)
where:
Base-Base interactions energy: -34.157
where: short stacking energy: -32.273
Base-Backbone interact. energy: -0.110
local terms energy: -54.249744
where:
bonds (distance) C4'-P energy: -11.706
bonds (distance) P-C4' energy: -16.015
flat angles C4'-P-C4' energy: -14.493
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -2.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -85.185155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.185155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.185155 (E_RNA)
where:
Base-Base interactions energy: -32.871
where: short stacking energy: -30.647
Base-Backbone interact. energy: -0.538
local terms energy: -51.775444
where:
bonds (distance) C4'-P energy: -13.679
bonds (distance) P-C4' energy: -14.046
flat angles C4'-P-C4' energy: -10.889
flat angles P-C4'-P energy: -10.107
tors. eta vs tors. theta energy: -3.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -90.910785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.910785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.910785 (E_RNA)
where:
Base-Base interactions energy: -36.492
where: short stacking energy: -33.143
Base-Backbone interact. energy: -0.011
local terms energy: -54.407817
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -14.034
flat angles C4'-P-C4' energy: -12.038
flat angles P-C4'-P energy: -5.712
tors. eta vs tors. theta energy: -8.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -74.127055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.127055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.127055 (E_RNA)
where:
Base-Base interactions energy: -27.091
where: short stacking energy: -22.143
Base-Backbone interact. energy: -0.015
local terms energy: -47.020787
where:
bonds (distance) C4'-P energy: -16.802
bonds (distance) P-C4' energy: -13.914
flat angles C4'-P-C4' energy: -9.978
flat angles P-C4'-P energy: -7.813
tors. eta vs tors. theta energy: 1.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -204.907290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.907290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.907290 (E_RNA)
where:
Base-Base interactions energy: -129.540
where: short stacking energy: -54.723
Base-Backbone interact. energy: -0.047
local terms energy: -75.320866
where:
bonds (distance) C4'-P energy: -15.253
bonds (distance) P-C4' energy: -13.144
flat angles C4'-P-C4' energy: -15.130
flat angles P-C4'-P energy: -13.838
tors. eta vs tors. theta energy: -17.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -195.990009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.990009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.990009 (E_RNA)
where:
Base-Base interactions energy: -127.670
where: short stacking energy: -53.922
Base-Backbone interact. energy: -0.482
local terms energy: -67.837365
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -14.567
flat angles P-C4'-P energy: -10.577
tors. eta vs tors. theta energy: -11.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -189.072228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.072228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.072228 (E_RNA)
where:
Base-Base interactions energy: -123.633
where: short stacking energy: -57.411
Base-Backbone interact. energy: -0.131
local terms energy: -65.308111
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -8.245
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: 4, replica: 3
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -156.905921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.905921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.905921 (E_RNA)
where:
Base-Base interactions energy: -89.116
where: short stacking energy: -53.883
Base-Backbone interact. energy: -0.191
local terms energy: -67.599058
where:
bonds (distance) C4'-P energy: -14.020
bonds (distance) P-C4' energy: -15.351
flat angles C4'-P-C4' energy: -15.347
flat angles P-C4'-P energy: -10.923
tors. eta vs tors. theta energy: -11.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -105.274872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.274872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.274872 (E_RNA)
where:
Base-Base interactions energy: -41.962
where: short stacking energy: -39.045
Base-Backbone interact. energy: -0.010
local terms energy: -63.302452
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -14.636
flat angles C4'-P-C4' energy: -14.337
flat angles P-C4'-P energy: -11.671
tors. eta vs tors. theta energy: -10.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -182.723587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.723587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.723587 (E_RNA)
where:
Base-Base interactions energy: -105.063
where: short stacking energy: -51.797
Base-Backbone interact. energy: -0.006
local terms energy: -77.654685
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -17.110
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -12.232
tors. eta vs tors. theta energy: -18.369
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: 5
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -91.007084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.007084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.007084 (E_RNA)
where:
Base-Base interactions energy: -35.041
where: short stacking energy: -33.393
Base-Backbone interact. energy: 0.551
local terms energy: -56.517558
where:
bonds (distance) C4'-P energy: -12.617
bonds (distance) P-C4' energy: -11.732
flat angles C4'-P-C4' energy: -10.970
flat angles P-C4'-P energy: -9.496
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: 8, replica: 6
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -84.537690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.537690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.537690 (E_RNA)
where:
Base-Base interactions energy: -40.540
where: short stacking energy: -21.758
Base-Backbone interact. energy: -0.110
local terms energy: -43.887910
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -15.789
flat angles C4'-P-C4' energy: -6.812
flat angles P-C4'-P energy: -6.755
tors. eta vs tors. theta energy: -1.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -77.053523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.053523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.053523 (E_RNA)
where:
Base-Base interactions energy: -29.732
where: short stacking energy: -24.223
Base-Backbone interact. energy: -0.959
local terms energy: -46.361956
where:
bonds (distance) C4'-P energy: -12.401
bonds (distance) P-C4' energy: -13.284
flat angles C4'-P-C4' energy: -13.324
flat angles P-C4'-P energy: -5.289
tors. eta vs tors. theta energy: -2.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -91.068131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.068131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.068131 (E_RNA)
where:
Base-Base interactions energy: -42.308
where: short stacking energy: -42.308
Base-Backbone interact. energy: -0.335
local terms energy: -48.425208
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -16.433
flat angles C4'-P-C4' energy: -13.301
flat angles P-C4'-P energy: -3.391
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: 1, replica: 9
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -205.282427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.282427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.282427 (E_RNA)
where:
Base-Base interactions energy: -131.686
where: short stacking energy: -59.526
Base-Backbone interact. energy: -0.625
local terms energy: -72.970874
where:
bonds (distance) C4'-P energy: -16.333
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -16.225
flat angles P-C4'-P energy: -9.546
tors. eta vs tors. theta energy: -15.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -197.001597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.001597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.001597 (E_RNA)
where:
Base-Base interactions energy: -130.853
where: short stacking energy: -63.458
Base-Backbone interact. energy: -0.318
local terms energy: -65.830995
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -13.163
flat angles C4'-P-C4' energy: -13.786
flat angles P-C4'-P energy: -5.878
tors. eta vs tors. theta energy: -19.036
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: 8
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -203.313392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.313392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.313392 (E_RNA)
where:
Base-Base interactions energy: -138.458
where: short stacking energy: -53.729
Base-Backbone interact. energy: 1.278
local terms energy: -66.132854
where:
bonds (distance) C4'-P energy: -10.646
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -13.684
tors. eta vs tors. theta energy: -10.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -181.653418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.653418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.653418 (E_RNA)
where:
Base-Base interactions energy: -110.056
where: short stacking energy: -61.471
Base-Backbone interact. energy: -0.021
local terms energy: -71.576817
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -14.519
flat angles C4'-P-C4' energy: -15.262
flat angles P-C4'-P energy: -12.322
tors. eta vs tors. theta energy: -15.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -115.983977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.983977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.983977 (E_RNA)
where:
Base-Base interactions energy: -57.588
where: short stacking energy: -40.081
Base-Backbone interact. energy: -0.157
local terms energy: -58.238759
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -12.752
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -7.729
tors. eta vs tors. theta energy: -6.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -165.548484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.548484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.548484 (E_RNA)
where:
Base-Base interactions energy: -108.574
where: short stacking energy: -57.661
Base-Backbone interact. energy: -0.119
local terms energy: -56.855207
where:
bonds (distance) C4'-P energy: -9.524
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -10.220
flat angles P-C4'-P energy: -6.791
tors. eta vs tors. theta energy: -15.539
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: 7, replica: 5
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -86.754445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.754445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.754445 (E_RNA)
where:
Base-Base interactions energy: -37.344
where: short stacking energy: -28.057
Base-Backbone interact. energy: -0.129
local terms energy: -49.281533
where:
bonds (distance) C4'-P energy: -9.297
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -12.153
flat angles P-C4'-P energy: -7.049
tors. eta vs tors. theta energy: -4.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -92.212576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.212576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.212576 (E_RNA)
where:
Base-Base interactions energy: -41.890
where: short stacking energy: -38.498
Base-Backbone interact. energy: -0.006
local terms energy: -50.316140
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -15.436
flat angles C4'-P-C4' energy: -8.565
flat angles P-C4'-P energy: -8.826
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: 9, replica: 6
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -80.450902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.450902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.450902 (E_RNA)
where:
Base-Base interactions energy: -31.847
where: short stacking energy: -31.847
Base-Backbone interact. energy: 3.106
local terms energy: -51.710188
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -12.711
flat angles C4'-P-C4' energy: -13.662
flat angles P-C4'-P energy: -5.983
tors. eta vs tors. theta energy: -4.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -84.925948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.925948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.925948 (E_RNA)
where:
Base-Base interactions energy: -31.288
where: short stacking energy: -28.842
Base-Backbone interact. energy: -0.091
local terms energy: -53.547193
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -11.771
flat angles C4'-P-C4' energy: -12.100
flat angles P-C4'-P energy: -7.319
tors. eta vs tors. theta energy: -7.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -203.636417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.636417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.636417 (E_RNA)
where:
Base-Base interactions energy: -134.960
where: short stacking energy: -64.439
Base-Backbone interact. energy: -0.087
local terms energy: -68.589461
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -11.559
flat angles P-C4'-P energy: -7.741
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: 2, replica: 2
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -201.899643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.899643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.899643 (E_RNA)
where:
Base-Base interactions energy: -130.490
where: short stacking energy: -50.322
Base-Backbone interact. energy: 1.069
local terms energy: -72.478420
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -18.025
flat angles C4'-P-C4' energy: -13.271
flat angles P-C4'-P energy: -9.654
tors. eta vs tors. theta energy: -15.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -198.440342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.440342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.440342 (E_RNA)
where:
Base-Base interactions energy: -137.666
where: short stacking energy: -49.991
Base-Backbone interact. energy: 0.387
local terms energy: -61.161358
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -16.246
flat angles P-C4'-P energy: -4.953
tors. eta vs tors. theta energy: -8.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -179.394292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.394292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.394292 (E_RNA)
where:
Base-Base interactions energy: -103.125
where: short stacking energy: -65.884
Base-Backbone interact. energy: -2.606
local terms energy: -73.663090
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -18.028
flat angles C4'-P-C4' energy: -15.578
flat angles P-C4'-P energy: -11.646
tors. eta vs tors. theta energy: -15.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -159.230687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.230687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.230687 (E_RNA)
where:
Base-Base interactions energy: -98.712
where: short stacking energy: -47.335
Base-Backbone interact. energy: -1.293
local terms energy: -59.226321
where:
bonds (distance) C4'-P energy: -8.257
bonds (distance) P-C4' energy: -12.032
flat angles C4'-P-C4' energy: -14.923
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -12.910
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: 4
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -142.530049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.530049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.530049 (E_RNA)
where:
Base-Base interactions energy: -86.905
where: short stacking energy: -46.954
Base-Backbone interact. energy: -1.270
local terms energy: -54.354312
where:
bonds (distance) C4'-P energy: -11.470
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -11.002
flat angles P-C4'-P energy: -9.161
tors. eta vs tors. theta energy: -9.736
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: 258
Temperature: 1.200000
Total energy: -99.380373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.380373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.380373 (E_RNA)
where:
Base-Base interactions energy: -36.242
where: short stacking energy: -34.083
Base-Backbone interact. energy: -1.167
local terms energy: -61.971855
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -17.230
flat angles P-C4'-P energy: -13.173
tors. eta vs tors. theta energy: -2.459
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: 258
Temperature: 1.250000
Total energy: -95.145958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.145958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.145958 (E_RNA)
where:
Base-Base interactions energy: -42.510
where: short stacking energy: -32.861
Base-Backbone interact. energy: -0.219
local terms energy: -52.417025
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -11.931
flat angles P-C4'-P energy: -8.002
tors. eta vs tors. theta energy: -2.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -84.802375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.802375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.802375 (E_RNA)
where:
Base-Base interactions energy: -35.432
where: short stacking energy: -35.432
Base-Backbone interact. energy: -0.066
local terms energy: -49.304482
where:
bonds (distance) C4'-P energy: -11.279
bonds (distance) P-C4' energy: -13.256
flat angles C4'-P-C4' energy: -12.354
flat angles P-C4'-P energy: -6.536
tors. eta vs tors. theta energy: -5.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -87.623674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.623674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.623674 (E_RNA)
where:
Base-Base interactions energy: -43.825
where: short stacking energy: -30.356
Base-Backbone interact. energy: -0.100
local terms energy: -43.698217
where:
bonds (distance) C4'-P energy: -12.760
bonds (distance) P-C4' energy: -14.103
flat angles C4'-P-C4' energy: -12.928
flat angles P-C4'-P energy: -1.029
tors. eta vs tors. theta energy: -2.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -202.009328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.009328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.009328 (E_RNA)
where:
Base-Base interactions energy: -132.105
where: short stacking energy: -65.266
Base-Backbone interact. energy: -0.056
local terms energy: -69.848127
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -13.646
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: -7.728
tors. eta vs tors. theta energy: -19.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -195.019994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.019994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.019994 (E_RNA)
where:
Base-Base interactions energy: -133.272
where: short stacking energy: -51.245
Base-Backbone interact. energy: -0.023
local terms energy: -61.724901
where:
bonds (distance) C4'-P energy: -9.905
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -12.409
flat angles P-C4'-P energy: -13.060
tors. eta vs tors. theta energy: -9.024
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: 3, replica: 2
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -200.905795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.905795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.905795 (E_RNA)
where:
Base-Base interactions energy: -127.461
where: short stacking energy: -55.180
Base-Backbone interact. energy: -0.396
local terms energy: -73.048262
where:
bonds (distance) C4'-P energy: -16.960
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -12.660
flat angles P-C4'-P energy: -6.778
tors. eta vs tors. theta energy: -19.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -169.405898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.405898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.405898 (E_RNA)
where:
Base-Base interactions energy: -111.940
where: short stacking energy: -47.404
Base-Backbone interact. energy: -0.925
local terms energy: -56.541317
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -9.807
flat angles P-C4'-P energy: -13.081
tors. eta vs tors. theta energy: -3.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -157.901450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.901450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.901450 (E_RNA)
where:
Base-Base interactions energy: -89.616
where: short stacking energy: -50.605
Base-Backbone interact. energy: -2.424
local terms energy: -65.862102
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -15.064
flat angles P-C4'-P energy: -7.220
tors. eta vs tors. theta energy: -17.449
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: 6, replica: 4
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -153.616983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.616983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.616983 (E_RNA)
where:
Base-Base interactions energy: -91.994
where: short stacking energy: -52.985
Base-Backbone interact. energy: -0.106
local terms energy: -61.517007
where:
bonds (distance) C4'-P energy: -13.818
bonds (distance) P-C4' energy: -11.929
flat angles C4'-P-C4' energy: -10.110
flat angles P-C4'-P energy: -11.369
tors. eta vs tors. theta energy: -14.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -97.462373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.462373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.462373 (E_RNA)
where:
Base-Base interactions energy: -40.392
where: short stacking energy: -40.392
Base-Backbone interact. energy: -0.008
local terms energy: -57.062298
where:
bonds (distance) C4'-P energy: -9.312
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -13.432
flat angles P-C4'-P energy: -9.519
tors. eta vs tors. theta energy: -8.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -84.642056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.642056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.642056 (E_RNA)
where:
Base-Base interactions energy: -30.361
where: short stacking energy: -28.030
Base-Backbone interact. energy: -0.139
local terms energy: -54.142458
where:
bonds (distance) C4'-P energy: -11.823
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -13.512
flat angles P-C4'-P energy: -8.446
tors. eta vs tors. theta energy: -6.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -87.999491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.999491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.999491 (E_RNA)
where:
Base-Base interactions energy: -42.824
where: short stacking energy: -25.410
Base-Backbone interact. energy: -0.154
local terms energy: -45.021102
where:
bonds (distance) C4'-P energy: -11.077
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -10.057
flat angles P-C4'-P energy: -7.406
tors. eta vs tors. theta energy: 0.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -80.628667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.628667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.628667 (E_RNA)
where:
Base-Base interactions energy: -41.164
where: short stacking energy: -31.290
Base-Backbone interact. energy: 0.780
local terms energy: -40.244329
where:
bonds (distance) C4'-P energy: -10.518
bonds (distance) P-C4' energy: -11.731
flat angles C4'-P-C4' energy: -9.309
flat angles P-C4'-P energy: -4.701
tors. eta vs tors. theta energy: -3.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -198.413429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.413429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.413429 (E_RNA)
where:
Base-Base interactions energy: -123.581
where: short stacking energy: -63.465
Base-Backbone interact. energy: -1.799
local terms energy: -73.033775
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -14.569
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -13.591
tors. eta vs tors. theta energy: -16.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -199.461052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.461052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.461052 (E_RNA)
where:
Base-Base interactions energy: -132.993
where: short stacking energy: -50.013
Base-Backbone interact. energy: -0.311
local terms energy: -66.156539
where:
bonds (distance) C4'-P energy: -16.864
bonds (distance) P-C4' energy: -11.496
flat angles C4'-P-C4' energy: -17.956
flat angles P-C4'-P energy: -12.612
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: 3, replica: 2
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -190.943044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.943044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.943044 (E_RNA)
where:
Base-Base interactions energy: -120.907
where: short stacking energy: -50.918
Base-Backbone interact. energy: -0.121
local terms energy: -69.915089
where:
bonds (distance) C4'-P energy: -12.244
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -15.385
flat angles P-C4'-P energy: -9.207
tors. eta vs tors. theta energy: -16.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -163.346477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.346477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.346477 (E_RNA)
where:
Base-Base interactions energy: -108.565
where: short stacking energy: -44.087
Base-Backbone interact. energy: -0.201
local terms energy: -54.580282
where:
bonds (distance) C4'-P energy: -12.049
bonds (distance) P-C4' energy: -10.678
flat angles C4'-P-C4' energy: -15.776
flat angles P-C4'-P energy: -9.415
tors. eta vs tors. theta energy: -6.662
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: 4
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -152.731777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.731777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.731777 (E_RNA)
where:
Base-Base interactions energy: -95.812
where: short stacking energy: -44.099
Base-Backbone interact. energy: 0.057
local terms energy: -56.977241
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -11.399
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -8.836
tors. eta vs tors. theta energy: -11.349
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: 260
Temperature: 1.150000
Total energy: -154.837336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.837336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.837336 (E_RNA)
where:
Base-Base interactions energy: -93.388
where: short stacking energy: -51.533
Base-Backbone interact. energy: -1.280
local terms energy: -60.169182
where:
bonds (distance) C4'-P energy: -12.786
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -10.296
flat angles P-C4'-P energy: -6.398
tors. eta vs tors. theta energy: -12.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -106.005863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.005863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.005863 (E_RNA)
where:
Base-Base interactions energy: -43.904
where: short stacking energy: -43.904
Base-Backbone interact. energy: -0.105
local terms energy: -61.997526
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -14.803
flat angles C4'-P-C4' energy: -15.725
flat angles P-C4'-P energy: -8.415
tors. eta vs tors. theta energy: -8.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -88.140069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.140069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.140069 (E_RNA)
where:
Base-Base interactions energy: -30.664
where: short stacking energy: -30.531
Base-Backbone interact. energy: -0.193
local terms energy: -57.282721
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -14.323
flat angles P-C4'-P energy: -10.945
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: 9, replica: 6
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -120.774929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.774929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.774929 (E_RNA)
where:
Base-Base interactions energy: -69.706
where: short stacking energy: -43.986
Base-Backbone interact. energy: 1.309
local terms energy: -52.378023
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -10.577
flat angles C4'-P-C4' energy: -9.689
flat angles P-C4'-P energy: -8.926
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: 10, replica: 10
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -78.215561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.215561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.215561 (E_RNA)
where:
Base-Base interactions energy: -31.962
where: short stacking energy: -26.019
Base-Backbone interact. energy: -0.282
local terms energy: -45.972181
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -11.866
flat angles C4'-P-C4' energy: -13.081
flat angles P-C4'-P energy: -4.090
tors. eta vs tors. theta energy: -2.423
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: 9
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -207.881922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.881922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.881922 (E_RNA)
where:
Base-Base interactions energy: -132.645
where: short stacking energy: -66.552
Base-Backbone interact. energy: 0.530
local terms energy: -75.766797
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -16.399
flat angles P-C4'-P energy: -10.672
tors. eta vs tors. theta energy: -15.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -203.559571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.559571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.559571 (E_RNA)
where:
Base-Base interactions energy: -133.903
where: short stacking energy: -53.209
Base-Backbone interact. energy: -0.105
local terms energy: -69.552352
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -15.207
flat angles P-C4'-P energy: -10.268
tors. eta vs tors. theta energy: -13.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -187.127456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.127456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.127456 (E_RNA)
where:
Base-Base interactions energy: -128.224
where: short stacking energy: -52.592
Base-Backbone interact. energy: -0.443
local terms energy: -58.459979
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -9.286
flat angles P-C4'-P energy: -11.643
tors. eta vs tors. theta energy: -7.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -157.224324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.224324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.224324 (E_RNA)
where:
Base-Base interactions energy: -92.714
where: short stacking energy: -45.665
Base-Backbone interact. energy: -1.280
local terms energy: -63.230153
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -9.521
flat angles C4'-P-C4' energy: -15.814
flat angles P-C4'-P energy: -8.479
tors. eta vs tors. theta energy: -14.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -168.416892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.416892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.416892 (E_RNA)
where:
Base-Base interactions energy: -96.703
where: short stacking energy: -55.166
Base-Backbone interact. energy: -0.001
local terms energy: -71.712498
where:
bonds (distance) C4'-P energy: -15.801
bonds (distance) P-C4' energy: -13.257
flat angles C4'-P-C4' energy: -15.194
flat angles P-C4'-P energy: -13.066
tors. eta vs tors. theta energy: -14.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -142.858282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.858282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.858282 (E_RNA)
where:
Base-Base interactions energy: -81.143
where: short stacking energy: -48.772
Base-Backbone interact. energy: -0.078
local terms energy: -61.636812
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -14.443
flat angles C4'-P-C4' energy: -13.589
flat angles P-C4'-P energy: -11.260
tors. eta vs tors. theta energy: -6.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -113.142822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.142822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.142822 (E_RNA)
where:
Base-Base interactions energy: -53.365
where: short stacking energy: -46.886
Base-Backbone interact. energy: -0.191
local terms energy: -59.587028
where:
bonds (distance) C4'-P energy: -11.533
bonds (distance) P-C4' energy: -18.119
flat angles C4'-P-C4' energy: -12.855
flat angles P-C4'-P energy: -10.045
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: 5
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -82.506531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.506531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.506531 (E_RNA)
where:
Base-Base interactions energy: -29.660
where: short stacking energy: -29.660
Base-Backbone interact. energy: -0.263
local terms energy: -52.583959
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -11.633
flat angles P-C4'-P energy: -6.770
tors. eta vs tors. theta energy: -4.172
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: 6
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -79.016046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.016046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.016046 (E_RNA)
where:
Base-Base interactions energy: -28.523
where: short stacking energy: -23.111
Base-Backbone interact. energy: -0.522
local terms energy: -49.970183
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -14.034
flat angles P-C4'-P energy: -5.565
tors. eta vs tors. theta energy: -1.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -83.885137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.885137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.885137 (E_RNA)
where:
Base-Base interactions energy: -34.208
where: short stacking energy: -31.203
Base-Backbone interact. energy: -0.144
local terms energy: -49.533689
where:
bonds (distance) C4'-P energy: -10.011
bonds (distance) P-C4' energy: -11.619
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -9.591
tors. eta vs tors. theta energy: -2.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -206.278420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.278420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.278420 (E_RNA)
where:
Base-Base interactions energy: -140.719
where: short stacking energy: -59.864
Base-Backbone interact. energy: -0.461
local terms energy: -65.098035
where:
bonds (distance) C4'-P energy: -13.940
bonds (distance) P-C4' energy: -15.395
flat angles C4'-P-C4' energy: -17.231
flat angles P-C4'-P energy: -4.365
tors. eta vs tors. theta energy: -14.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -197.104167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.104167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.104167 (E_RNA)
where:
Base-Base interactions energy: -124.941
where: short stacking energy: -61.524
Base-Backbone interact. energy: 0.287
local terms energy: -72.449534
where:
bonds (distance) C4'-P energy: -13.671
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -11.899
tors. eta vs tors. theta energy: -16.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -173.346517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.346517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.346517 (E_RNA)
where:
Base-Base interactions energy: -100.392
where: short stacking energy: -59.315
Base-Backbone interact. energy: -0.046
local terms energy: -72.908822
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -17.716
flat angles P-C4'-P energy: -11.264
tors. eta vs tors. theta energy: -15.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -170.128531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.128531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.128531 (E_RNA)
where:
Base-Base interactions energy: -111.238
where: short stacking energy: -51.800
Base-Backbone interact. energy: -0.791
local terms energy: -58.099980
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -10.245
flat angles C4'-P-C4' energy: -13.535
flat angles P-C4'-P energy: -13.250
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: 5, replica: 7
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -161.069988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.069988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.069988 (E_RNA)
where:
Base-Base interactions energy: -93.709
where: short stacking energy: -48.989
Base-Backbone interact. energy: -0.073
local terms energy: -67.288386
where:
bonds (distance) C4'-P energy: -12.004
bonds (distance) P-C4' energy: -17.524
flat angles C4'-P-C4' energy: -16.277
flat angles P-C4'-P energy: -10.671
tors. eta vs tors. theta energy: -10.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -137.744378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.744378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.744378 (E_RNA)
where:
Base-Base interactions energy: -82.008
where: short stacking energy: -46.473
Base-Backbone interact. energy: 0.201
local terms energy: -55.936930
where:
bonds (distance) C4'-P energy: -16.521
bonds (distance) P-C4' energy: -13.523
flat angles C4'-P-C4' energy: -14.851
flat angles P-C4'-P energy: -4.513
tors. eta vs tors. theta energy: -6.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -86.215885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.215885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.215885 (E_RNA)
where:
Base-Base interactions energy: -34.525
where: short stacking energy: -34.525
Base-Backbone interact. energy: -0.073
local terms energy: -51.617483
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -13.861
flat angles C4'-P-C4' energy: -12.890
flat angles P-C4'-P energy: -8.962
tors. eta vs tors. theta energy: -1.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -93.918708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.918708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.918708 (E_RNA)
where:
Base-Base interactions energy: -36.296
where: short stacking energy: -35.763
Base-Backbone interact. energy: -0.130
local terms energy: -57.492883
where:
bonds (distance) C4'-P energy: -16.279
bonds (distance) P-C4' energy: -14.037
flat angles C4'-P-C4' energy: -11.734
flat angles P-C4'-P energy: -7.157
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: 6
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -86.386483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.386483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.386483 (E_RNA)
where:
Base-Base interactions energy: -31.990
where: short stacking energy: -26.902
Base-Backbone interact. energy: 0.584
local terms energy: -54.980161
where:
bonds (distance) C4'-P energy: -14.686
bonds (distance) P-C4' energy: -13.235
flat angles C4'-P-C4' energy: -10.845
flat angles P-C4'-P energy: -10.113
tors. eta vs tors. theta energy: -6.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -82.579661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.579661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.579661 (E_RNA)
where:
Base-Base interactions energy: -28.730
where: short stacking energy: -28.730
Base-Backbone interact. energy: -0.116
local terms energy: -53.734294
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -12.124
flat angles C4'-P-C4' energy: -12.577
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -6.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -205.933473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.933473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.933473 (E_RNA)
where:
Base-Base interactions energy: -132.825
where: short stacking energy: -60.204
Base-Backbone interact. energy: -0.023
local terms energy: -73.085706
where:
bonds (distance) C4'-P energy: -15.306
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -11.553
tors. eta vs tors. theta energy: -14.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -182.127823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.127823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.127823 (E_RNA)
where:
Base-Base interactions energy: -114.889
where: short stacking energy: -54.924
Base-Backbone interact. energy: -0.089
local terms energy: -67.150100
where:
bonds (distance) C4'-P energy: -12.842
bonds (distance) P-C4' energy: -18.210
flat angles C4'-P-C4' energy: -15.108
flat angles P-C4'-P energy: -8.928
tors. eta vs tors. theta energy: -12.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -175.919342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.919342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.919342 (E_RNA)
where:
Base-Base interactions energy: -103.687
where: short stacking energy: -59.425
Base-Backbone interact. energy: 0.847
local terms energy: -73.079075
where:
bonds (distance) C4'-P energy: -17.178
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -17.278
flat angles P-C4'-P energy: -8.401
tors. eta vs tors. theta energy: -15.083
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: 7
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -180.511210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.511210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.511210 (E_RNA)
where:
Base-Base interactions energy: -115.098
where: short stacking energy: -56.637
Base-Backbone interact. energy: -0.071
local terms energy: -65.342361
where:
bonds (distance) C4'-P energy: -14.813
bonds (distance) P-C4' energy: -12.673
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: -13.171
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: 8
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -128.508706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.508706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.508706 (E_RNA)
where:
Base-Base interactions energy: -83.594
where: short stacking energy: -43.972
Base-Backbone interact. energy: -0.101
local terms energy: -44.813466
where:
bonds (distance) C4'-P energy: -10.345
bonds (distance) P-C4' energy: -15.890
flat angles C4'-P-C4' energy: -11.769
flat angles P-C4'-P energy: -3.042
tors. eta vs tors. theta energy: -3.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -147.992028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.992028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.992028 (E_RNA)
where:
Base-Base interactions energy: -81.637
where: short stacking energy: -47.292
Base-Backbone interact. energy: -0.001
local terms energy: -66.353868
where:
bonds (distance) C4'-P energy: -13.930
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -15.188
flat angles P-C4'-P energy: -9.695
tors. eta vs tors. theta energy: -11.328
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: 1
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -103.933335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.933335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.933335 (E_RNA)
where:
Base-Base interactions energy: -49.992
where: short stacking energy: -41.352
Base-Backbone interact. energy: -0.200
local terms energy: -53.742065
where:
bonds (distance) C4'-P energy: -8.261
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -10.816
flat angles P-C4'-P energy: -9.751
tors. eta vs tors. theta energy: -8.711
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: 5
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -94.057026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.057026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.057026 (E_RNA)
where:
Base-Base interactions energy: -44.336
where: short stacking energy: -44.336
Base-Backbone interact. energy: -0.019
local terms energy: -49.701616
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -10.010
flat angles C4'-P-C4' energy: -14.081
flat angles P-C4'-P energy: -9.286
tors. eta vs tors. theta energy: -2.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -83.361255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.361255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.361255 (E_RNA)
where:
Base-Base interactions energy: -26.148
where: short stacking energy: -20.826
Base-Backbone interact. energy: -0.220
local terms energy: -56.993341
where:
bonds (distance) C4'-P energy: -10.876
bonds (distance) P-C4' energy: -16.656
flat angles C4'-P-C4' energy: -12.670
flat angles P-C4'-P energy: -11.908
tors. eta vs tors. theta energy: -4.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -78.933269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.933269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.933269 (E_RNA)
where:
Base-Base interactions energy: -33.322
where: short stacking energy: -31.427
Base-Backbone interact. energy: -0.093
local terms energy: -45.517433
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -8.932
flat angles C4'-P-C4' energy: -8.821
flat angles P-C4'-P energy: -8.367
tors. eta vs tors. theta energy: -5.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -209.097968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.097968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.097968 (E_RNA)
where:
Base-Base interactions energy: -139.842
where: short stacking energy: -59.570
Base-Backbone interact. energy: 0.447
local terms energy: -69.702252
where:
bonds (distance) C4'-P energy: -11.019
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -11.142
tors. eta vs tors. theta energy: -14.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -184.875398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.875398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.875398 (E_RNA)
where:
Base-Base interactions energy: -109.633
where: short stacking energy: -52.638
Base-Backbone interact. energy: -0.056
local terms energy: -75.185893
where:
bonds (distance) C4'-P energy: -16.670
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -14.260
tors. eta vs tors. theta energy: -12.463
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: 7
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -178.400943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.400943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.400943 (E_RNA)
where:
Base-Base interactions energy: -109.205
where: short stacking energy: -58.567
Base-Backbone interact. energy: -0.718
local terms energy: -68.477885
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -12.179
flat angles P-C4'-P energy: -12.946
tors. eta vs tors. theta energy: -12.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -152.613342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.613342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.613342 (E_RNA)
where:
Base-Base interactions energy: -94.316
where: short stacking energy: -45.522
Base-Backbone interact. energy: -0.441
local terms energy: -57.856953
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -13.236
flat angles P-C4'-P energy: -11.024
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: 5, replica: 3
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -159.084853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.084853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.084853 (E_RNA)
where:
Base-Base interactions energy: -88.915
where: short stacking energy: -52.253
Base-Backbone interact. energy: -1.527
local terms energy: -68.643043
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -15.218
flat angles C4'-P-C4' energy: -13.709
flat angles P-C4'-P energy: -8.768
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: 6, replica: 8
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -98.561113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.561113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.561113 (E_RNA)
where:
Base-Base interactions energy: -48.997
where: short stacking energy: -33.484
Base-Backbone interact. energy: -0.419
local terms energy: -49.145931
where:
bonds (distance) C4'-P energy: -16.434
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -9.803
flat angles P-C4'-P energy: -5.478
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: 7, replica: 1
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -107.374778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.374778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.374778 (E_RNA)
where:
Base-Base interactions energy: -42.715
where: short stacking energy: -42.708
Base-Backbone interact. energy: -0.117
local terms energy: -64.542603
where:
bonds (distance) C4'-P energy: -12.868
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -16.938
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: -9.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -90.374772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.374772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.374772 (E_RNA)
where:
Base-Base interactions energy: -33.593
where: short stacking energy: -29.033
Base-Backbone interact. energy: -0.125
local terms energy: -56.657094
where:
bonds (distance) C4'-P energy: -13.820
bonds (distance) P-C4' energy: -15.847
flat angles C4'-P-C4' energy: -16.105
flat angles P-C4'-P energy: -4.062
tors. eta vs tors. theta energy: -6.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -77.951371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.951371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.951371 (E_RNA)
where:
Base-Base interactions energy: -25.600
where: short stacking energy: -24.419
Base-Backbone interact. energy: -0.162
local terms energy: -52.189304
where:
bonds (distance) C4'-P energy: -15.771
bonds (distance) P-C4' energy: -12.247
flat angles C4'-P-C4' energy: -13.850
flat angles P-C4'-P energy: -7.464
tors. eta vs tors. theta energy: -2.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -90.511537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.511537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.511537 (E_RNA)
where:
Base-Base interactions energy: -42.351
where: short stacking energy: -28.123
Base-Backbone interact. energy: -0.163
local terms energy: -47.997261
where:
bonds (distance) C4'-P energy: -11.485
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -7.823
flat angles P-C4'-P energy: -6.260
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: 1, replica: 2
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -215.412891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.412891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.412891 (E_RNA)
where:
Base-Base interactions energy: -146.692
where: short stacking energy: -60.203
Base-Backbone interact. energy: -0.058
local terms energy: -68.663777
where:
bonds (distance) C4'-P energy: -12.090
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -14.983
flat angles P-C4'-P energy: -13.481
tors. eta vs tors. theta energy: -12.509
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: 2, replica: 9
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -201.471224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.471224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.471224 (E_RNA)
where:
Base-Base interactions energy: -125.145
where: short stacking energy: -66.756
Base-Backbone interact. energy: -0.004
local terms energy: -76.323097
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -18.160
flat angles C4'-P-C4' energy: -14.532
flat angles P-C4'-P energy: -12.580
tors. eta vs tors. theta energy: -15.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -164.702859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.702859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.702859 (E_RNA)
where:
Base-Base interactions energy: -110.115
where: short stacking energy: -47.756
Base-Backbone interact. energy: 0.008
local terms energy: -54.595683
where:
bonds (distance) C4'-P energy: -12.665
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -10.235
flat angles P-C4'-P energy: -14.301
tors. eta vs tors. theta energy: -2.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -161.166915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.166915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.166915 (E_RNA)
where:
Base-Base interactions energy: -93.706
where: short stacking energy: -47.219
Base-Backbone interact. energy: -0.016
local terms energy: -67.444514
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -15.778
flat angles C4'-P-C4' energy: -16.630
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -11.887
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: 3
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -142.875041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.875041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.875041 (E_RNA)
where:
Base-Base interactions energy: -83.033
where: short stacking energy: -37.244
Base-Backbone interact. energy: -0.320
local terms energy: -59.521963
where:
bonds (distance) C4'-P energy: -15.776
bonds (distance) P-C4' energy: -13.158
flat angles C4'-P-C4' energy: -14.592
flat angles P-C4'-P energy: -12.709
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)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -102.581825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.581825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.581825 (E_RNA)
where:
Base-Base interactions energy: -48.538
where: short stacking energy: -45.775
Base-Backbone interact. energy: -0.114
local terms energy: -53.929618
where:
bonds (distance) C4'-P energy: -12.061
bonds (distance) P-C4' energy: -15.468
flat angles C4'-P-C4' energy: -12.232
flat angles P-C4'-P energy: -6.190
tors. eta vs tors. theta energy: -7.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -95.408807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.408807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.408807 (E_RNA)
where:
Base-Base interactions energy: -43.655
where: short stacking energy: -34.672
Base-Backbone interact. energy: -0.098
local terms energy: -51.656096
where:
bonds (distance) C4'-P energy: -12.210
bonds (distance) P-C4' energy: -13.834
flat angles C4'-P-C4' energy: -12.017
flat angles P-C4'-P energy: -8.355
tors. eta vs tors. theta energy: -5.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -80.673428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.673428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.673428 (E_RNA)
where:
Base-Base interactions energy: -37.020
where: short stacking energy: -23.098
Base-Backbone interact. energy: -0.154
local terms energy: -43.498617
where:
bonds (distance) C4'-P energy: -10.233
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -10.949
flat angles P-C4'-P energy: -8.310
tors. eta vs tors. theta energy: 1.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -98.113421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.113421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.113421 (E_RNA)
where:
Base-Base interactions energy: -42.788
where: short stacking energy: -33.879
Base-Backbone interact. energy: -1.111
local terms energy: -54.214908
where:
bonds (distance) C4'-P energy: -11.693
bonds (distance) P-C4' energy: -12.915
flat angles C4'-P-C4' energy: -14.734
flat angles P-C4'-P energy: -10.277
tors. eta vs tors. theta energy: -4.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -72.151829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.151829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.151829 (E_RNA)
where:
Base-Base interactions energy: -25.493
where: short stacking energy: -21.037
Base-Backbone interact. energy: -0.171
local terms energy: -46.487270
where:
bonds (distance) C4'-P energy: -12.263
bonds (distance) P-C4' energy: -15.433
flat angles C4'-P-C4' energy: -12.245
flat angles P-C4'-P energy: -7.802
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: 9
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -205.871942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.871942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.871942 (E_RNA)
where:
Base-Base interactions energy: -135.497
where: short stacking energy: -57.524
Base-Backbone interact. energy: -1.143
local terms energy: -69.231907
where:
bonds (distance) C4'-P energy: -14.311
bonds (distance) P-C4' energy: -17.455
flat angles C4'-P-C4' energy: -15.102
flat angles P-C4'-P energy: -10.772
tors. eta vs tors. theta energy: -11.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -205.419533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.419533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.419533 (E_RNA)
where:
Base-Base interactions energy: -134.768
where: short stacking energy: -61.511
Base-Backbone interact. energy: -0.004
local terms energy: -70.647573
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -14.161
flat angles C4'-P-C4' energy: -14.499
flat angles P-C4'-P energy: -9.353
tors. eta vs tors. theta energy: -15.957
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: 7
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -151.686763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.686763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.686763 (E_RNA)
where:
Base-Base interactions energy: -99.136
where: short stacking energy: -53.080
Base-Backbone interact. energy: 0.844
local terms energy: -53.395383
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -8.308
flat angles C4'-P-C4' energy: -16.822
flat angles P-C4'-P energy: -11.135
tors. eta vs tors. theta energy: -3.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -169.551678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.551678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.551678 (E_RNA)
where:
Base-Base interactions energy: -109.548
where: short stacking energy: -57.450
Base-Backbone interact. energy: -0.295
local terms energy: -59.709175
where:
bonds (distance) C4'-P energy: -10.712
bonds (distance) P-C4' energy: -7.680
flat angles C4'-P-C4' energy: -15.400
flat angles P-C4'-P energy: -9.029
tors. eta vs tors. theta energy: -16.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -143.378565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.378565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.378565 (E_RNA)
where:
Base-Base interactions energy: -76.833
where: short stacking energy: -46.475
Base-Backbone interact. energy: 0.024
local terms energy: -66.569145
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -12.148
flat angles P-C4'-P energy: -11.555
tors. eta vs tors. theta energy: -12.407
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: 1
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -102.421843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.421843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.421843 (E_RNA)
where:
Base-Base interactions energy: -37.005
where: short stacking energy: -37.005
Base-Backbone interact. energy: -1.786
local terms energy: -63.630949
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -18.030
flat angles P-C4'-P energy: -8.371
tors. eta vs tors. theta energy: -7.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -93.881299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.881299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.881299 (E_RNA)
where:
Base-Base interactions energy: -43.827
where: short stacking energy: -33.266
Base-Backbone interact. energy: 4.986
local terms energy: -55.040137
where:
bonds (distance) C4'-P energy: -11.322
bonds (distance) P-C4' energy: -13.449
flat angles C4'-P-C4' energy: -14.456
flat angles P-C4'-P energy: -9.439
tors. eta vs tors. theta energy: -6.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -87.093208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.093208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.093208 (E_RNA)
where:
Base-Base interactions energy: -39.616
where: short stacking energy: -26.655
Base-Backbone interact. energy: -0.053
local terms energy: -47.424410
where:
bonds (distance) C4'-P energy: -10.793
bonds (distance) P-C4' energy: -11.731
flat angles C4'-P-C4' energy: -13.208
flat angles P-C4'-P energy: -7.543
tors. eta vs tors. theta energy: -4.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -83.596636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.596636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.596636 (E_RNA)
where:
Base-Base interactions energy: -27.806
where: short stacking energy: -25.662
Base-Backbone interact. energy: 0.489
local terms energy: -56.279329
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -12.189
flat angles C4'-P-C4' energy: -15.467
flat angles P-C4'-P energy: -12.783
tors. eta vs tors. theta energy: -1.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -83.221049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.221049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.221049 (E_RNA)
where:
Base-Base interactions energy: -41.759
where: short stacking energy: -28.397
Base-Backbone interact. energy: 0.608
local terms energy: -42.069799
where:
bonds (distance) C4'-P energy: -11.304
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -6.331
flat angles P-C4'-P energy: -9.370
tors. eta vs tors. theta energy: -1.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -199.763428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.763428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.763428 (E_RNA)
where:
Base-Base interactions energy: -142.788
where: short stacking energy: -47.445
Base-Backbone interact. energy: 0.426
local terms energy: -57.401419
where:
bonds (distance) C4'-P energy: -11.077
bonds (distance) P-C4' energy: -14.259
flat angles C4'-P-C4' energy: -14.793
flat angles P-C4'-P energy: -7.817
tors. eta vs tors. theta energy: -9.455
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: 7
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -184.496157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.496157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.496157 (E_RNA)
where:
Base-Base interactions energy: -119.988
where: short stacking energy: -47.771
Base-Backbone interact. energy: -0.234
local terms energy: -64.274019
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -15.178
flat angles P-C4'-P energy: -11.880
tors. eta vs tors. theta energy: -11.264
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: 267
Temperature: 1.000000
Total energy: -204.949793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.949793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.949793 (E_RNA)
where:
Base-Base interactions energy: -133.511
where: short stacking energy: -69.329
Base-Backbone interact. energy: -0.675
local terms energy: -70.763844
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -13.979
flat angles P-C4'-P energy: -10.552
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: 4, replica: 4
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -156.408986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.408986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.408986 (E_RNA)
where:
Base-Base interactions energy: -89.513
where: short stacking energy: -44.727
Base-Backbone interact. energy: -0.115
local terms energy: -66.780692
where:
bonds (distance) C4'-P energy: -16.217
bonds (distance) P-C4' energy: -17.517
flat angles C4'-P-C4' energy: -15.903
flat angles P-C4'-P energy: -8.163
tors. eta vs tors. theta energy: -8.981
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: 3
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -142.538976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.538976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.538976 (E_RNA)
where:
Base-Base interactions energy: -73.070
where: short stacking energy: -47.738
Base-Backbone interact. energy: -0.605
local terms energy: -68.864115
where:
bonds (distance) C4'-P energy: -17.816
bonds (distance) P-C4' energy: -15.954
flat angles C4'-P-C4' energy: -16.458
flat angles P-C4'-P energy: -7.203
tors. eta vs tors. theta energy: -11.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -133.224697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.224697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.224697 (E_RNA)
where:
Base-Base interactions energy: -69.865
where: short stacking energy: -49.482
Base-Backbone interact. energy: -0.115
local terms energy: -63.244334
where:
bonds (distance) C4'-P energy: -16.231
bonds (distance) P-C4' energy: -17.243
flat angles C4'-P-C4' energy: -11.214
flat angles P-C4'-P energy: -9.208
tors. eta vs tors. theta energy: -9.349
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: 267
Temperature: 1.200000
Total energy: -90.474620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.474620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.474620 (E_RNA)
where:
Base-Base interactions energy: -37.444
where: short stacking energy: -24.604
Base-Backbone interact. energy: -0.021
local terms energy: -53.008961
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -12.651
flat angles P-C4'-P energy: -7.947
tors. eta vs tors. theta energy: -2.587
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: 6
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -95.338890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.338890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.338890 (E_RNA)
where:
Base-Base interactions energy: -45.577
where: short stacking energy: -30.822
Base-Backbone interact. energy: -0.010
local terms energy: -49.751887
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -14.415
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -9.631
tors. eta vs tors. theta energy: 1.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -96.912779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.912779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.912779 (E_RNA)
where:
Base-Base interactions energy: -35.067
where: short stacking energy: -34.235
Base-Backbone interact. energy: -0.233
local terms energy: -61.612421
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -13.324
flat angles P-C4'-P energy: -8.405
tors. eta vs tors. theta energy: -7.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -75.827246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.827246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.827246 (E_RNA)
where:
Base-Base interactions energy: -29.478
where: short stacking energy: -27.801
Base-Backbone interact. energy: -0.748
local terms energy: -45.600989
where:
bonds (distance) C4'-P energy: -10.916
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -12.071
flat angles P-C4'-P energy: -4.610
tors. eta vs tors. theta energy: -2.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -210.268941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.268941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.268941 (E_RNA)
where:
Base-Base interactions energy: -140.328
where: short stacking energy: -64.029
Base-Backbone interact. energy: -0.097
local terms energy: -69.843264
where:
bonds (distance) C4'-P energy: -15.284
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -10.101
flat angles P-C4'-P energy: -10.698
tors. eta vs tors. theta energy: -17.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -176.208407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.208407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.208407 (E_RNA)
where:
Base-Base interactions energy: -110.940
where: short stacking energy: -47.481
Base-Backbone interact. energy: 1.136
local terms energy: -66.404201
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -13.839
flat angles P-C4'-P energy: -9.860
tors. eta vs tors. theta energy: -9.125
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: 3, replica: 2
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -206.403898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.403898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.403898 (E_RNA)
where:
Base-Base interactions energy: -140.807
where: short stacking energy: -59.349
Base-Backbone interact. energy: -0.590
local terms energy: -65.007661
where:
bonds (distance) C4'-P energy: -12.361
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -10.940
flat angles P-C4'-P energy: -11.867
tors. eta vs tors. theta energy: -14.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -137.381624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.381624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.381624 (E_RNA)
where:
Base-Base interactions energy: -83.886
where: short stacking energy: -45.974
Base-Backbone interact. energy: -0.933
local terms energy: -52.563268
where:
bonds (distance) C4'-P energy: -10.212
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -13.397
flat angles P-C4'-P energy: -6.207
tors. eta vs tors. theta energy: -5.513
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: 5, replica: 3
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -152.948964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.948964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.948964 (E_RNA)
where:
Base-Base interactions energy: -88.362
where: short stacking energy: -51.947
Base-Backbone interact. energy: -0.174
local terms energy: -64.413399
where:
bonds (distance) C4'-P energy: -11.753
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -13.075
flat angles P-C4'-P energy: -9.504
tors. eta vs tors. theta energy: -13.252
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: 10
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -144.230319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.230319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.230319 (E_RNA)
where:
Base-Base interactions energy: -86.256
where: short stacking energy: -46.032
Base-Backbone interact. energy: -1.344
local terms energy: -56.630569
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -12.121
flat angles C4'-P-C4' energy: -12.913
flat angles P-C4'-P energy: -6.346
tors. eta vs tors. theta energy: -13.019
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: 7, replica: 6
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -97.239791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.239791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.239791 (E_RNA)
where:
Base-Base interactions energy: -41.202
where: short stacking energy: -27.578
Base-Backbone interact. energy: -0.199
local terms energy: -55.839444
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -12.188
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: 8, replica: 1
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -83.830534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.830534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.830534 (E_RNA)
where:
Base-Base interactions energy: -31.471
where: short stacking energy: -24.949
Base-Backbone interact. energy: -0.684
local terms energy: -51.675910
where:
bonds (distance) C4'-P energy: -13.439
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -12.501
flat angles P-C4'-P energy: -6.913
tors. eta vs tors. theta energy: -1.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -84.700766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.700766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.700766 (E_RNA)
where:
Base-Base interactions energy: -30.211
where: short stacking energy: -28.126
Base-Backbone interact. energy: -0.002
local terms energy: -54.487415
where:
bonds (distance) C4'-P energy: -17.033
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -10.755
flat angles P-C4'-P energy: -3.096
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: 10, replica: 8
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -80.838663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.838663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.838663 (E_RNA)
where:
Base-Base interactions energy: -38.126
where: short stacking energy: -33.234
Base-Backbone interact. energy: -0.778
local terms energy: -41.934507
where:
bonds (distance) C4'-P energy: -5.267
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -7.395
flat angles P-C4'-P energy: -5.497
tors. eta vs tors. theta energy: -7.856
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: 9
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -215.206433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.206433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.206433 (E_RNA)
where:
Base-Base interactions energy: -146.819
where: short stacking energy: -64.136
Base-Backbone interact. energy: 0.285
local terms energy: -68.672984
where:
bonds (distance) C4'-P energy: -15.609
bonds (distance) P-C4' energy: -15.593
flat angles C4'-P-C4' energy: -12.247
flat angles P-C4'-P energy: -9.441
tors. eta vs tors. theta energy: -15.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -191.193830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.193830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.193830 (E_RNA)
where:
Base-Base interactions energy: -127.993
where: short stacking energy: -52.196
Base-Backbone interact. energy: -1.062
local terms energy: -62.139111
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -13.041
flat angles C4'-P-C4' energy: -15.452
flat angles P-C4'-P energy: -8.632
tors. eta vs tors. theta energy: -11.884
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: 3, replica: 7
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -166.766773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.766773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.766773 (E_RNA)
where:
Base-Base interactions energy: -93.501
where: short stacking energy: -53.171
Base-Backbone interact. energy: -0.101
local terms energy: -73.164880
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -15.338
flat angles C4'-P-C4' energy: -18.109
flat angles P-C4'-P energy: -12.268
tors. eta vs tors. theta energy: -13.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -158.694270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.694270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.694270 (E_RNA)
where:
Base-Base interactions energy: -92.904
where: short stacking energy: -60.597
Base-Backbone interact. energy: 0.129
local terms energy: -65.919022
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -16.714
flat angles C4'-P-C4' energy: -17.175
flat angles P-C4'-P energy: -7.739
tors. eta vs tors. theta energy: -11.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -171.615393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.615393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.615393 (E_RNA)
where:
Base-Base interactions energy: -105.984
where: short stacking energy: -54.972
Base-Backbone interact. energy: 4.569
local terms energy: -70.200302
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -14.794
flat angles C4'-P-C4' energy: -16.193
flat angles P-C4'-P energy: -9.634
tors. eta vs tors. theta energy: -14.048
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: 6
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -104.516031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.516031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.516031 (E_RNA)
where:
Base-Base interactions energy: -45.138
where: short stacking energy: -36.182
Base-Backbone interact. energy: 0.723
local terms energy: -60.100333
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -15.690
flat angles P-C4'-P energy: -7.783
tors. eta vs tors. theta energy: -3.446
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: 269
Temperature: 1.200000
Total energy: -134.342279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.342279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.342279 (E_RNA)
where:
Base-Base interactions energy: -72.355
where: short stacking energy: -41.371
Base-Backbone interact. energy: -0.335
local terms energy: -61.652824
where:
bonds (distance) C4'-P energy: -17.050
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -11.439
flat angles P-C4'-P energy: -11.931
tors. eta vs tors. theta energy: -6.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -90.762315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.762315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.762315 (E_RNA)
where:
Base-Base interactions energy: -42.862
where: short stacking energy: -37.156
Base-Backbone interact. energy: -0.062
local terms energy: -47.837849
where:
bonds (distance) C4'-P energy: -10.962
bonds (distance) P-C4' energy: -10.345
flat angles C4'-P-C4' energy: -14.610
flat angles P-C4'-P energy: -5.491
tors. eta vs tors. theta energy: -6.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -86.789111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.789111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.789111 (E_RNA)
where:
Base-Base interactions energy: -34.482
where: short stacking energy: -32.915
Base-Backbone interact. energy: -0.488
local terms energy: -51.819656
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -11.172
flat angles P-C4'-P energy: -6.854
tors. eta vs tors. theta energy: -7.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -80.069198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.069198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.069198 (E_RNA)
where:
Base-Base interactions energy: -31.508
where: short stacking energy: -24.416
Base-Backbone interact. energy: -0.241
local terms energy: -48.320703
where:
bonds (distance) C4'-P energy: -10.258
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -10.980
flat angles P-C4'-P energy: -7.441
tors. eta vs tors. theta energy: -5.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -204.124918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.124918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.124918 (E_RNA)
where:
Base-Base interactions energy: -135.705
where: short stacking energy: -64.347
Base-Backbone interact. energy: -0.044
local terms energy: -68.375857
where:
bonds (distance) C4'-P energy: -16.343
bonds (distance) P-C4' energy: -13.982
flat angles C4'-P-C4' energy: -13.545
flat angles P-C4'-P energy: -8.866
tors. eta vs tors. theta energy: -15.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -197.786182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.786182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.786182 (E_RNA)
where:
Base-Base interactions energy: -128.657
where: short stacking energy: -63.648
Base-Backbone interact. energy: -0.111
local terms energy: -69.017402
where:
bonds (distance) C4'-P energy: -9.508
bonds (distance) P-C4' energy: -14.122
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -10.595
tors. eta vs tors. theta energy: -17.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -161.932426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.932426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.932426 (E_RNA)
where:
Base-Base interactions energy: -94.176
where: short stacking energy: -60.842
Base-Backbone interact. energy: -0.468
local terms energy: -67.288027
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -5.799
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: 4, replica: 7
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -179.488629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.488629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.488629 (E_RNA)
where:
Base-Base interactions energy: -120.273
where: short stacking energy: -46.743
Base-Backbone interact. energy: 0.069
local terms energy: -59.284534
where:
bonds (distance) C4'-P energy: -10.935
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -12.784
flat angles P-C4'-P energy: -11.235
tors. eta vs tors. theta energy: -7.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -141.721773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.721773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.721773 (E_RNA)
where:
Base-Base interactions energy: -80.051
where: short stacking energy: -46.314
Base-Backbone interact. energy: -0.503
local terms energy: -61.167403
where:
bonds (distance) C4'-P energy: -14.224
bonds (distance) P-C4' energy: -11.690
flat angles C4'-P-C4' energy: -16.132
flat angles P-C4'-P energy: -11.195
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: 6, replica: 6
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -93.491095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.491095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.491095 (E_RNA)
where:
Base-Base interactions energy: -40.698
where: short stacking energy: -33.472
Base-Backbone interact. energy: 0.024
local terms energy: -52.817450
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -14.569
flat angles C4'-P-C4' energy: -13.259
flat angles P-C4'-P energy: -5.996
tors. eta vs tors. theta energy: -5.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -88.412193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.412193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.412193 (E_RNA)
where:
Base-Base interactions energy: -48.929
where: short stacking energy: -30.139
Base-Backbone interact. energy: -0.512
local terms energy: -38.971893
where:
bonds (distance) C4'-P energy: -12.466
bonds (distance) P-C4' energy: -14.815
flat angles C4'-P-C4' energy: -7.499
flat angles P-C4'-P energy: -3.450
tors. eta vs tors. theta energy: -0.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -107.644210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.644210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.644210 (E_RNA)
where:
Base-Base interactions energy: -44.640
where: short stacking energy: -25.395
Base-Backbone interact. energy: -0.479
local terms energy: -62.525216
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -15.655
flat angles C4'-P-C4' energy: -13.258
flat angles P-C4'-P energy: -12.637
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: 9, replica: 5
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -76.097042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.097042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.097042 (E_RNA)
where:
Base-Base interactions energy: -30.083
where: short stacking energy: -23.068
Base-Backbone interact. energy: 0.357
local terms energy: -46.371400
where:
bonds (distance) C4'-P energy: -12.058
bonds (distance) P-C4' energy: -10.850
flat angles C4'-P-C4' energy: -12.227
flat angles P-C4'-P energy: -8.462
tors. eta vs tors. theta energy: -2.775
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: 8
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -72.712380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.712380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.712380 (E_RNA)
where:
Base-Base interactions energy: -27.338
where: short stacking energy: -19.674
Base-Backbone interact. energy: -0.071
local terms energy: -45.304173
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -12.889
flat angles C4'-P-C4' energy: -6.842
flat angles P-C4'-P energy: -11.619
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: 271
Temperature: 0.900000
Total energy: -208.063552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.063552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.063552 (E_RNA)
where:
Base-Base interactions energy: -137.283
where: short stacking energy: -65.068
Base-Backbone interact. energy: -0.036
local terms energy: -70.744548
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -16.718
flat angles C4'-P-C4' energy: -12.933
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -15.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -196.057818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.057818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.057818 (E_RNA)
where:
Base-Base interactions energy: -131.214
where: short stacking energy: -61.284
Base-Backbone interact. energy: -0.010
local terms energy: -64.833396
where:
bonds (distance) C4'-P energy: -14.183
bonds (distance) P-C4' energy: -13.989
flat angles C4'-P-C4' energy: -12.757
flat angles P-C4'-P energy: -8.440
tors. eta vs tors. theta energy: -15.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -162.783109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.783109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.783109 (E_RNA)
where:
Base-Base interactions energy: -98.744
where: short stacking energy: -44.905
Base-Backbone interact. energy: -0.014
local terms energy: -64.024577
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -14.263
flat angles P-C4'-P energy: -9.254
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: 4, replica: 7
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -162.321347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.321347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.321347 (E_RNA)
where:
Base-Base interactions energy: -102.967
where: short stacking energy: -45.161
Base-Backbone interact. energy: -0.274
local terms energy: -59.079436
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -15.986
flat angles P-C4'-P energy: -8.062
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: 5, replica: 4
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -157.850911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.850911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.850911 (E_RNA)
where:
Base-Base interactions energy: -101.179
where: short stacking energy: -58.350
Base-Backbone interact. energy: 0.856
local terms energy: -57.528208
where:
bonds (distance) C4'-P energy: -8.362
bonds (distance) P-C4' energy: -14.450
flat angles C4'-P-C4' energy: -14.727
flat angles P-C4'-P energy: -11.185
tors. eta vs tors. theta energy: -8.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -98.582012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.582012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.582012 (E_RNA)
where:
Base-Base interactions energy: -40.787
where: short stacking energy: -33.822
Base-Backbone interact. energy: -0.242
local terms energy: -57.553023
where:
bonds (distance) C4'-P energy: -17.552
bonds (distance) P-C4' energy: -13.710
flat angles C4'-P-C4' energy: -16.006
flat angles P-C4'-P energy: -3.421
tors. eta vs tors. theta energy: -6.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -97.481227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.481227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.481227 (E_RNA)
where:
Base-Base interactions energy: -51.624
where: short stacking energy: -43.272
Base-Backbone interact. energy: -0.869
local terms energy: -44.988119
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -9.044
flat angles C4'-P-C4' energy: -10.093
flat angles P-C4'-P energy: -12.258
tors. eta vs tors. theta energy: 0.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -84.846217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.846217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.846217 (E_RNA)
where:
Base-Base interactions energy: -44.660
where: short stacking energy: -36.889
Base-Backbone interact. energy: -1.025
local terms energy: -39.161201
where:
bonds (distance) C4'-P energy: -11.392
bonds (distance) P-C4' energy: -10.564
flat angles C4'-P-C4' energy: -8.881
flat angles P-C4'-P energy: -5.145
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)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -91.647347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.647347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.647347 (E_RNA)
where:
Base-Base interactions energy: -43.708
where: short stacking energy: -39.849
Base-Backbone interact. energy: -0.457
local terms energy: -47.481501
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -11.913
flat angles P-C4'-P energy: -4.721
tors. eta vs tors. theta energy: -5.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -82.923361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.923361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.923361 (E_RNA)
where:
Base-Base interactions energy: -29.697
where: short stacking energy: -22.889
Base-Backbone interact. energy: -0.195
local terms energy: -53.031077
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -9.453
tors. eta vs tors. theta energy: 0.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -204.668290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.668290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.668290 (E_RNA)
where:
Base-Base interactions energy: -134.906
where: short stacking energy: -54.271
Base-Backbone interact. energy: -0.414
local terms energy: -69.348186
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -18.201
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -8.473
tors. eta vs tors. theta energy: -12.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -202.067026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.067026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.067026 (E_RNA)
where:
Base-Base interactions energy: -130.486
where: short stacking energy: -61.363
Base-Backbone interact. energy: 0.063
local terms energy: -71.643909
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -12.718
flat angles P-C4'-P energy: -11.283
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: 3, replica: 7
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -191.904364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.904364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.904364 (E_RNA)
where:
Base-Base interactions energy: -118.908
where: short stacking energy: -63.353
Base-Backbone interact. energy: -0.054
local terms energy: -72.942458
where:
bonds (distance) C4'-P energy: -10.948
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -16.499
flat angles P-C4'-P energy: -12.573
tors. eta vs tors. theta energy: -16.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -168.359164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.359164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.359164 (E_RNA)
where:
Base-Base interactions energy: -96.149
where: short stacking energy: -59.822
Base-Backbone interact. energy: -0.315
local terms energy: -71.894979
where:
bonds (distance) C4'-P energy: -17.170
bonds (distance) P-C4' energy: -15.698
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -9.898
tors. eta vs tors. theta energy: -15.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -164.065899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.065899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.065899 (E_RNA)
where:
Base-Base interactions energy: -102.060
where: short stacking energy: -52.708
Base-Backbone interact. energy: -0.286
local terms energy: -61.720311
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -12.812
flat angles C4'-P-C4' energy: -11.763
flat angles P-C4'-P energy: -11.262
tors. eta vs tors. theta energy: -13.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -95.554951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.554951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.554951 (E_RNA)
where:
Base-Base interactions energy: -40.432
where: short stacking energy: -36.643
Base-Backbone interact. energy: -0.198
local terms energy: -54.924768
where:
bonds (distance) C4'-P energy: -9.813
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -15.134
flat angles P-C4'-P energy: -11.233
tors. eta vs tors. theta energy: -3.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -89.933435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.933435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.933435 (E_RNA)
where:
Base-Base interactions energy: -41.155
where: short stacking energy: -30.490
Base-Backbone interact. energy: 1.237
local terms energy: -50.015214
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -16.901
flat angles C4'-P-C4' energy: -8.159
flat angles P-C4'-P energy: -6.029
tors. eta vs tors. theta energy: -5.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -87.049322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.049322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.049322 (E_RNA)
where:
Base-Base interactions energy: -38.670
where: short stacking energy: -28.405
Base-Backbone interact. energy: -0.584
local terms energy: -47.795687
where:
bonds (distance) C4'-P energy: -12.430
bonds (distance) P-C4' energy: -14.151
flat angles C4'-P-C4' energy: -11.063
flat angles P-C4'-P energy: -8.726
tors. eta vs tors. theta energy: -1.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -75.461570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.461570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.461570 (E_RNA)
where:
Base-Base interactions energy: -29.365
where: short stacking energy: -24.912
Base-Backbone interact. energy: -1.249
local terms energy: -44.848023
where:
bonds (distance) C4'-P energy: -15.604
bonds (distance) P-C4' energy: -12.924
flat angles C4'-P-C4' energy: -10.986
flat angles P-C4'-P energy: -5.889
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: 10
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -99.411268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.411268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.411268 (E_RNA)
where:
Base-Base interactions energy: -52.349
where: short stacking energy: -30.535
Base-Backbone interact. energy: -0.728
local terms energy: -46.333984
where:
bonds (distance) C4'-P energy: -14.952
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -12.437
flat angles P-C4'-P energy: -4.483
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: 1, replica: 9
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -209.908901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.908901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.908901 (E_RNA)
where:
Base-Base interactions energy: -132.604
where: short stacking energy: -62.723
Base-Backbone interact. energy: -0.134
local terms energy: -77.171501
where:
bonds (distance) C4'-P energy: -14.510
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -17.606
flat angles P-C4'-P energy: -11.561
tors. eta vs tors. theta energy: -19.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -206.908168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.908168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.908168 (E_RNA)
where:
Base-Base interactions energy: -132.500
where: short stacking energy: -71.182
Base-Backbone interact. energy: -0.003
local terms energy: -74.404854
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -12.311
flat angles P-C4'-P energy: -10.549
tors. eta vs tors. theta energy: -20.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -199.987014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.987014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.987014 (E_RNA)
where:
Base-Base interactions energy: -129.575
where: short stacking energy: -57.851
Base-Backbone interact. energy: 0.779
local terms energy: -71.191139
where:
bonds (distance) C4'-P energy: -11.947
bonds (distance) P-C4' energy: -17.226
flat angles C4'-P-C4' energy: -17.481
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: -13.748
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: 3
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -164.589222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.589222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.589222 (E_RNA)
where:
Base-Base interactions energy: -96.464
where: short stacking energy: -65.237
Base-Backbone interact. energy: -0.002
local terms energy: -68.123582
where:
bonds (distance) C4'-P energy: -15.708
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -6.111
tors. eta vs tors. theta energy: -17.852
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: 5, replica: 4
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -167.134396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.134396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.134396 (E_RNA)
where:
Base-Base interactions energy: -96.564
where: short stacking energy: -57.379
Base-Backbone interact. energy: -0.002
local terms energy: -70.568677
where:
bonds (distance) C4'-P energy: -11.772
bonds (distance) P-C4' energy: -15.167
flat angles C4'-P-C4' energy: -14.244
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: -18.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -93.326740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.326740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.326740 (E_RNA)
where:
Base-Base interactions energy: -33.920
where: short stacking energy: -30.996
Base-Backbone interact. energy: -0.045
local terms energy: -59.360853
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -13.359
flat angles P-C4'-P energy: -6.791
tors. eta vs tors. theta energy: -7.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -87.680348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.680348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.680348 (E_RNA)
where:
Base-Base interactions energy: -26.915
where: short stacking energy: -26.915
Base-Backbone interact. energy: -0.140
local terms energy: -60.624480
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -15.197
flat angles C4'-P-C4' energy: -12.621
flat angles P-C4'-P energy: -10.241
tors. eta vs tors. theta energy: -7.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -91.104576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.104576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.104576 (E_RNA)
where:
Base-Base interactions energy: -37.518
where: short stacking energy: -32.016
Base-Backbone interact. energy: -0.400
local terms energy: -53.186736
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -12.814
flat angles P-C4'-P energy: -6.003
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: 6
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -84.188005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.188005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.188005 (E_RNA)
where:
Base-Base interactions energy: -40.498
where: short stacking energy: -30.894
Base-Backbone interact. energy: -0.115
local terms energy: -43.575036
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -8.218
flat angles P-C4'-P energy: -7.851
tors. eta vs tors. theta energy: -1.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -74.870470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.870470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.870470 (E_RNA)
where:
Base-Base interactions energy: -31.056
where: short stacking energy: -19.112
Base-Backbone interact. energy: -0.118
local terms energy: -43.696404
where:
bonds (distance) C4'-P energy: -13.185
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -10.109
flat angles P-C4'-P energy: -5.766
tors. eta vs tors. theta energy: -1.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -213.756600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.756600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.756600 (E_RNA)
where:
Base-Base interactions energy: -146.450
where: short stacking energy: -64.106
Base-Backbone interact. energy: 0.604
local terms energy: -67.910658
where:
bonds (distance) C4'-P energy: -16.620
bonds (distance) P-C4' energy: -11.164
flat angles C4'-P-C4' energy: -16.309
flat angles P-C4'-P energy: -8.667
tors. eta vs tors. theta energy: -15.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -207.191615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.191615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.191615 (E_RNA)
where:
Base-Base interactions energy: -136.950
where: short stacking energy: -62.153
Base-Backbone interact. energy: -0.005
local terms energy: -70.237248
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -14.599
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -10.927
tors. eta vs tors. theta energy: -16.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -199.397587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.397587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.397587 (E_RNA)
where:
Base-Base interactions energy: -132.855
where: short stacking energy: -57.726
Base-Backbone interact. energy: -1.308
local terms energy: -65.234297
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -13.562
flat angles C4'-P-C4' energy: -14.493
flat angles P-C4'-P energy: -8.203
tors. eta vs tors. theta energy: -13.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -175.816006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.816006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.816006 (E_RNA)
where:
Base-Base interactions energy: -105.551
where: short stacking energy: -68.236
Base-Backbone interact. energy: -2.777
local terms energy: -67.488503
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -13.754
flat angles P-C4'-P energy: -7.781
tors. eta vs tors. theta energy: -18.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -164.323698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.323698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.323698 (E_RNA)
where:
Base-Base interactions energy: -94.317
where: short stacking energy: -56.958
Base-Backbone interact. energy: -0.037
local terms energy: -69.970288
where:
bonds (distance) C4'-P energy: -14.751
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -13.896
flat angles P-C4'-P energy: -10.903
tors. eta vs tors. theta energy: -14.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -97.584441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.584441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.584441 (E_RNA)
where:
Base-Base interactions energy: -37.586
where: short stacking energy: -28.581
Base-Backbone interact. energy: -0.027
local terms energy: -59.971631
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -16.898
flat angles C4'-P-C4' energy: -16.998
flat angles P-C4'-P energy: -4.693
tors. eta vs tors. theta energy: -7.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -92.139572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.139572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.139572 (E_RNA)
where:
Base-Base interactions energy: -38.527
where: short stacking energy: -38.527
Base-Backbone interact. energy: 1.120
local terms energy: -54.732440
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -11.535
flat angles C4'-P-C4' energy: -13.225
flat angles P-C4'-P energy: -9.125
tors. eta vs tors. theta energy: -7.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -76.833757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.833757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.833757 (E_RNA)
where:
Base-Base interactions energy: -20.950
where: short stacking energy: -17.880
Base-Backbone interact. energy: -0.197
local terms energy: -55.687497
where:
bonds (distance) C4'-P energy: -11.850
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -13.300
tors. eta vs tors. theta energy: -1.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -73.768110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.768110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.768110 (E_RNA)
where:
Base-Base interactions energy: -34.124
where: short stacking energy: -22.531
Base-Backbone interact. energy: -0.194
local terms energy: -39.450676
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -5.112
flat angles P-C4'-P energy: -4.740
tors. eta vs tors. theta energy: 3.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -76.103069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.103069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.103069 (E_RNA)
where:
Base-Base interactions energy: -29.743
where: short stacking energy: -29.743
Base-Backbone interact. energy: -1.188
local terms energy: -45.171375
where:
bonds (distance) C4'-P energy: -9.006
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -3.224
tors. eta vs tors. theta energy: -2.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -217.793916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.793916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.793916 (E_RNA)
where:
Base-Base interactions energy: -146.336
where: short stacking energy: -72.937
Base-Backbone interact. energy: 0.434
local terms energy: -71.892048
where:
bonds (distance) C4'-P energy: -14.127
bonds (distance) P-C4' energy: -10.492
flat angles C4'-P-C4' energy: -14.734
flat angles P-C4'-P energy: -12.895
tors. eta vs tors. theta energy: -19.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -207.191687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.191687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.191687 (E_RNA)
where:
Base-Base interactions energy: -136.220
where: short stacking energy: -55.821
Base-Backbone interact. energy: -0.521
local terms energy: -70.451149
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -15.263
flat angles C4'-P-C4' energy: -14.778
flat angles P-C4'-P energy: -13.089
tors. eta vs tors. theta energy: -13.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -193.168406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.168406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.168406 (E_RNA)
where:
Base-Base interactions energy: -122.439
where: short stacking energy: -59.979
Base-Backbone interact. energy: -0.038
local terms energy: -70.691751
where:
bonds (distance) C4'-P energy: -16.066
bonds (distance) P-C4' energy: -15.159
flat angles C4'-P-C4' energy: -14.561
flat angles P-C4'-P energy: -8.918
tors. eta vs tors. theta energy: -15.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -163.339145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.339145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.339145 (E_RNA)
where:
Base-Base interactions energy: -92.160
where: short stacking energy: -57.440
Base-Backbone interact. energy: 0.668
local terms energy: -71.847221
where:
bonds (distance) C4'-P energy: -13.646
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -16.838
flat angles P-C4'-P energy: -12.183
tors. eta vs tors. theta energy: -14.087
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: 3
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -164.971891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.971891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.971891 (E_RNA)
where:
Base-Base interactions energy: -96.076
where: short stacking energy: -66.086
Base-Backbone interact. energy: -0.627
local terms energy: -68.269324
where:
bonds (distance) C4'-P energy: -10.091
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -16.037
flat angles P-C4'-P energy: -10.555
tors. eta vs tors. theta energy: -15.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -100.609708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.609708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.609708 (E_RNA)
where:
Base-Base interactions energy: -45.428
where: short stacking energy: -44.029
Base-Backbone interact. energy: -0.053
local terms energy: -55.128569
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -10.624
flat angles C4'-P-C4' energy: -12.846
flat angles P-C4'-P energy: -8.803
tors. eta vs tors. theta energy: -10.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -93.748019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.748019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.748019 (E_RNA)
where:
Base-Base interactions energy: -38.917
where: short stacking energy: -28.612
Base-Backbone interact. energy: -1.082
local terms energy: -53.749225
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -16.708
flat angles C4'-P-C4' energy: -11.648
flat angles P-C4'-P energy: -9.513
tors. eta vs tors. theta energy: -1.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -88.202727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.202727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.202727 (E_RNA)
where:
Base-Base interactions energy: -44.502
where: short stacking energy: -37.326
Base-Backbone interact. energy: -0.335
local terms energy: -43.366549
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -8.429
flat angles C4'-P-C4' energy: -10.400
flat angles P-C4'-P energy: -6.411
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: 1
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -90.931182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.931182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.931182 (E_RNA)
where:
Base-Base interactions energy: -33.100
where: short stacking energy: -31.262
Base-Backbone interact. energy: -0.248
local terms energy: -57.583426
where:
bonds (distance) C4'-P energy: -11.487
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -13.458
flat angles P-C4'-P energy: -7.019
tors. eta vs tors. theta energy: -7.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -79.122303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.122303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.122303 (E_RNA)
where:
Base-Base interactions energy: -31.073
where: short stacking energy: -30.142
Base-Backbone interact. energy: -0.195
local terms energy: -47.854633
where:
bonds (distance) C4'-P energy: -15.019
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -12.182
flat angles P-C4'-P energy: 0.705
tors. eta vs tors. theta energy: -8.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -206.090559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.090559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.090559 (E_RNA)
where:
Base-Base interactions energy: -130.467
where: short stacking energy: -65.315
Base-Backbone interact. energy: -0.548
local terms energy: -75.075117
where:
bonds (distance) C4'-P energy: -11.986
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -15.377
flat angles P-C4'-P energy: -10.047
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: 2, replica: 2
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -197.701982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.701982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.701982 (E_RNA)
where:
Base-Base interactions energy: -132.091
where: short stacking energy: -61.016
Base-Backbone interact. energy: -0.121
local terms energy: -65.489272
where:
bonds (distance) C4'-P energy: -12.292
bonds (distance) P-C4' energy: -13.918
flat angles C4'-P-C4' energy: -12.138
flat angles P-C4'-P energy: -12.925
tors. eta vs tors. theta energy: -14.217
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: 276
Temperature: 1.000000
Total energy: -190.027666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.027666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.027666 (E_RNA)
where:
Base-Base interactions energy: -124.801
where: short stacking energy: -61.168
Base-Backbone interact. energy: -0.669
local terms energy: -64.557399
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -12.330
flat angles C4'-P-C4' energy: -15.543
flat angles P-C4'-P energy: -9.844
tors. eta vs tors. theta energy: -12.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -154.859950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.859950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.859950 (E_RNA)
where:
Base-Base interactions energy: -93.095
where: short stacking energy: -57.317
Base-Backbone interact. energy: -0.051
local terms energy: -61.714721
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -8.946
flat angles C4'-P-C4' energy: -16.413
flat angles P-C4'-P energy: -10.973
tors. eta vs tors. theta energy: -10.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -118.415754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.415754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.415754 (E_RNA)
where:
Base-Base interactions energy: -72.500
where: short stacking energy: -40.010
Base-Backbone interact. energy: 2.274
local terms energy: -48.188852
where:
bonds (distance) C4'-P energy: -4.372
bonds (distance) P-C4' energy: -12.993
flat angles C4'-P-C4' energy: -12.417
flat angles P-C4'-P energy: -8.318
tors. eta vs tors. theta energy: -10.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -161.018226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.018226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.018226 (E_RNA)
where:
Base-Base interactions energy: -97.322
where: short stacking energy: -65.674
Base-Backbone interact. energy: -0.026
local terms energy: -63.669625
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -7.531
flat angles C4'-P-C4' energy: -14.879
flat angles P-C4'-P energy: -10.909
tors. eta vs tors. theta energy: -16.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -96.950843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.950843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.950843 (E_RNA)
where:
Base-Base interactions energy: -47.017
where: short stacking energy: -40.065
Base-Backbone interact. energy: -0.184
local terms energy: -49.749638
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -9.900
flat angles C4'-P-C4' energy: -11.773
flat angles P-C4'-P energy: -8.409
tors. eta vs tors. theta energy: -4.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -87.320515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.320515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.320515 (E_RNA)
where:
Base-Base interactions energy: -36.758
where: short stacking energy: -28.984
Base-Backbone interact. energy: 2.686
local terms energy: -53.248426
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -10.227
flat angles P-C4'-P energy: -5.455
tors. eta vs tors. theta energy: -9.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -82.354384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.354384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.354384 (E_RNA)
where:
Base-Base interactions energy: -29.869
where: short stacking energy: -28.526
Base-Backbone interact. energy: 0.130
local terms energy: -52.615520
where:
bonds (distance) C4'-P energy: -10.861
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -12.134
flat angles P-C4'-P energy: -10.234
tors. eta vs tors. theta energy: -3.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -76.123438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.123438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.123438 (E_RNA)
where:
Base-Base interactions energy: -29.539
where: short stacking energy: -23.037
Base-Backbone interact. energy: -0.225
local terms energy: -46.359288
where:
bonds (distance) C4'-P energy: -8.720
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -15.202
flat angles P-C4'-P energy: -9.021
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: 1, replica: 7
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -211.294332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.294332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.294332 (E_RNA)
where:
Base-Base interactions energy: -138.833
where: short stacking energy: -62.187
Base-Backbone interact. energy: 0.390
local terms energy: -72.851608
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -16.675
flat angles P-C4'-P energy: -11.145
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: 2, replica: 9
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -198.859070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.859070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.859070 (E_RNA)
where:
Base-Base interactions energy: -128.524
where: short stacking energy: -55.164
Base-Backbone interact. energy: -0.043
local terms energy: -70.291857
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -17.657
flat angles C4'-P-C4' energy: -14.347
flat angles P-C4'-P energy: -6.068
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: 2
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -198.726489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.726489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.726489 (E_RNA)
where:
Base-Base interactions energy: -129.669
where: short stacking energy: -53.648
Base-Backbone interact. energy: -0.100
local terms energy: -68.957640
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -16.189
flat angles C4'-P-C4' energy: -16.426
flat angles P-C4'-P energy: -8.576
tors. eta vs tors. theta energy: -12.542
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: 4
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -167.188466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.188466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.188466 (E_RNA)
where:
Base-Base interactions energy: -96.183
where: short stacking energy: -57.975
Base-Backbone interact. energy: -1.698
local terms energy: -69.307614
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -17.401
flat angles P-C4'-P energy: -8.186
tors. eta vs tors. theta energy: -13.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -120.831469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.831469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.831469 (E_RNA)
where:
Base-Base interactions energy: -56.235
where: short stacking energy: -55.429
Base-Backbone interact. energy: -0.099
local terms energy: -64.497053
where:
bonds (distance) C4'-P energy: -12.168
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -11.827
flat angles P-C4'-P energy: -8.149
tors. eta vs tors. theta energy: -15.504
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: 3
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -142.524502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.524502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.524502 (E_RNA)
where:
Base-Base interactions energy: -91.024
where: short stacking energy: -51.591
Base-Backbone interact. energy: -0.232
local terms energy: -51.268530
where:
bonds (distance) C4'-P energy: -8.875
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -10.709
flat angles P-C4'-P energy: -6.972
tors. eta vs tors. theta energy: -10.349
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: 10
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -88.192796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.192796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.192796 (E_RNA)
where:
Base-Base interactions energy: -37.773
where: short stacking energy: -29.509
Base-Backbone interact. energy: 1.075
local terms energy: -51.495159
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -11.521
flat angles C4'-P-C4' energy: -13.636
flat angles P-C4'-P energy: -6.907
tors. eta vs tors. theta energy: -5.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -99.984325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.984325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.984325 (E_RNA)
where:
Base-Base interactions energy: -38.375
where: short stacking energy: -38.375
Base-Backbone interact. energy: 0.410
local terms energy: -62.019731
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -13.913
flat angles P-C4'-P energy: -7.129
tors. eta vs tors. theta energy: -10.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -82.578259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.578259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.578259 (E_RNA)
where:
Base-Base interactions energy: -29.941
where: short stacking energy: -27.288
Base-Backbone interact. energy: -0.071
local terms energy: -52.566010
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -8.973
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -4.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -87.452251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.452251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.452251 (E_RNA)
where:
Base-Base interactions energy: -40.765
where: short stacking energy: -40.765
Base-Backbone interact. energy: -0.100
local terms energy: -46.586338
where:
bonds (distance) C4'-P energy: -11.013
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -5.581
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -3.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -201.959711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.959711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.959711 (E_RNA)
where:
Base-Base interactions energy: -134.083
where: short stacking energy: -47.926
Base-Backbone interact. energy: -0.069
local terms energy: -67.808115
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -14.316
flat angles P-C4'-P energy: -9.888
tors. eta vs tors. theta energy: -11.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -200.741337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.741337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.741337 (E_RNA)
where:
Base-Base interactions energy: -128.784
where: short stacking energy: -56.913
Base-Backbone interact. energy: -0.012
local terms energy: -71.945694
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -16.543
flat angles P-C4'-P energy: -13.163
tors. eta vs tors. theta energy: -13.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -183.110457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.110457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.110457 (E_RNA)
where:
Base-Base interactions energy: -114.823
where: short stacking energy: -64.626
Base-Backbone interact. energy: -0.043
local terms energy: -68.244475
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -15.007
flat angles P-C4'-P energy: -5.172
tors. eta vs tors. theta energy: -15.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -158.138842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.138842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.138842 (E_RNA)
where:
Base-Base interactions energy: -94.277
where: short stacking energy: -57.209
Base-Backbone interact. energy: -0.386
local terms energy: -63.475454
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -11.026
flat angles C4'-P-C4' energy: -14.582
flat angles P-C4'-P energy: -13.493
tors. eta vs tors. theta energy: -8.770
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: 5, replica: 3
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -159.699607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.699607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.699607 (E_RNA)
where:
Base-Base interactions energy: -88.614
where: short stacking energy: -55.149
Base-Backbone interact. energy: -0.049
local terms energy: -71.036648
where:
bonds (distance) C4'-P energy: -15.971
bonds (distance) P-C4' energy: -15.190
flat angles C4'-P-C4' energy: -16.524
flat angles P-C4'-P energy: -10.191
tors. eta vs tors. theta energy: -13.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -99.373627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.373627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.373627 (E_RNA)
where:
Base-Base interactions energy: -39.771
where: short stacking energy: -33.530
Base-Backbone interact. energy: 0.757
local terms energy: -60.360208
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -15.037
flat angles C4'-P-C4' energy: -17.432
flat angles P-C4'-P energy: -8.635
tors. eta vs tors. theta energy: -4.914
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: 6
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -90.610937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.610937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.610937 (E_RNA)
where:
Base-Base interactions energy: -42.369
where: short stacking energy: -39.420
Base-Backbone interact. energy: -0.231
local terms energy: -48.010963
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -8.869
flat angles P-C4'-P energy: -7.612
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: 10
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -92.998978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.998978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.998978 (E_RNA)
where:
Base-Base interactions energy: -45.556
where: short stacking energy: -35.254
Base-Backbone interact. energy: -0.271
local terms energy: -47.172261
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -15.594
flat angles C4'-P-C4' energy: -8.231
flat angles P-C4'-P energy: -8.813
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: 9, replica: 1
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -84.774185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.774185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.774185 (E_RNA)
where:
Base-Base interactions energy: -31.982
where: short stacking energy: -20.532
Base-Backbone interact. energy: -0.132
local terms energy: -52.660573
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -14.528
flat angles P-C4'-P energy: -7.930
tors. eta vs tors. theta energy: -1.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -74.400022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.400022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.400022 (E_RNA)
where:
Base-Base interactions energy: -24.921
where: short stacking energy: -23.228
Base-Backbone interact. energy: -0.096
local terms energy: -49.382516
where:
bonds (distance) C4'-P energy: -3.763
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -12.983
flat angles P-C4'-P energy: -7.691
tors. eta vs tors. theta energy: -7.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -196.634985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.634985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.634985 (E_RNA)
where:
Base-Base interactions energy: -134.942
where: short stacking energy: -48.601
Base-Backbone interact. energy: 0.783
local terms energy: -62.475687
where:
bonds (distance) C4'-P energy: -12.047
bonds (distance) P-C4' energy: -15.775
flat angles C4'-P-C4' energy: -13.134
flat angles P-C4'-P energy: -11.452
tors. eta vs tors. theta energy: -10.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -208.321832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.321832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.321832 (E_RNA)
where:
Base-Base interactions energy: -139.160
where: short stacking energy: -68.248
Base-Backbone interact. energy: 0.887
local terms energy: -70.048980
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -18.197
flat angles C4'-P-C4' energy: -13.881
flat angles P-C4'-P energy: -7.986
tors. eta vs tors. theta energy: -17.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -188.070266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.070266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.070266 (E_RNA)
where:
Base-Base interactions energy: -114.357
where: short stacking energy: -63.407
Base-Backbone interact. energy: -0.018
local terms energy: -73.695340
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -13.350
flat angles P-C4'-P energy: -11.960
tors. eta vs tors. theta energy: -19.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -160.699040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.699040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.699040 (E_RNA)
where:
Base-Base interactions energy: -91.916
where: short stacking energy: -55.951
Base-Backbone interact. energy: -0.556
local terms energy: -68.227938
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -13.742
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -13.909
tors. eta vs tors. theta energy: -10.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -158.780057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.780057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.780057 (E_RNA)
where:
Base-Base interactions energy: -95.011
where: short stacking energy: -58.257
Base-Backbone interact. energy: -1.120
local terms energy: -62.648652
where:
bonds (distance) C4'-P energy: -15.302
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -16.222
flat angles P-C4'-P energy: -3.937
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: 6, replica: 6
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -101.049185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.049185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.049185 (E_RNA)
where:
Base-Base interactions energy: -42.524
where: short stacking energy: -40.339
Base-Backbone interact. energy: -0.070
local terms energy: -58.455320
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -15.575
flat angles C4'-P-C4' energy: -10.810
flat angles P-C4'-P energy: -10.617
tors. eta vs tors. theta energy: -8.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -86.595662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.595662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.595662 (E_RNA)
where:
Base-Base interactions energy: -45.856
where: short stacking energy: -29.935
Base-Backbone interact. energy: -0.114
local terms energy: -40.625915
where:
bonds (distance) C4'-P energy: -6.548
bonds (distance) P-C4' energy: -12.361
flat angles C4'-P-C4' energy: -12.900
flat angles P-C4'-P energy: -1.051
tors. eta vs tors. theta energy: -7.767
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: 1
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -89.630839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.630839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.630839 (E_RNA)
where:
Base-Base interactions energy: -38.520
where: short stacking energy: -31.824
Base-Backbone interact. energy: -0.269
local terms energy: -50.840985
where:
bonds (distance) C4'-P energy: -9.308
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -11.517
flat angles P-C4'-P energy: -6.898
tors. eta vs tors. theta energy: -7.173
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: 10
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -86.755368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.755368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.755368 (E_RNA)
where:
Base-Base interactions energy: -33.768
where: short stacking energy: -33.768
Base-Backbone interact. energy: -0.005
local terms energy: -52.982143
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -12.087
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -7.555
tors. eta vs tors. theta energy: -4.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -78.101974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.101974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.101974 (E_RNA)
where:
Base-Base interactions energy: -24.207
where: short stacking energy: -19.043
Base-Backbone interact. energy: -0.133
local terms energy: -53.762093
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -16.109
flat angles C4'-P-C4' energy: -11.429
flat angles P-C4'-P energy: -11.806
tors. eta vs tors. theta energy: 1.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -213.129293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.129293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.129293 (E_RNA)
where:
Base-Base interactions energy: -139.702
where: short stacking energy: -64.197
Base-Backbone interact. energy: -0.004
local terms energy: -73.423439
where:
bonds (distance) C4'-P energy: -13.035
bonds (distance) P-C4' energy: -17.672
flat angles C4'-P-C4' energy: -15.664
flat angles P-C4'-P energy: -9.258
tors. eta vs tors. theta energy: -17.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -201.353453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.353453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.353453 (E_RNA)
where:
Base-Base interactions energy: -138.200
where: short stacking energy: -58.272
Base-Backbone interact. energy: -0.126
local terms energy: -63.027164
where:
bonds (distance) C4'-P energy: -11.175
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -14.956
flat angles P-C4'-P energy: -4.991
tors. eta vs tors. theta energy: -18.356
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: 3, replica: 4
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -156.624652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.624652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.624652 (E_RNA)
where:
Base-Base interactions energy: -89.182
where: short stacking energy: -54.609
Base-Backbone interact. energy: -0.110
local terms energy: -67.332654
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -14.315
flat angles P-C4'-P energy: -9.381
tors. eta vs tors. theta energy: -12.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -177.563030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.563030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.563030 (E_RNA)
where:
Base-Base interactions energy: -115.312
where: short stacking energy: -50.955
Base-Backbone interact. energy: -0.322
local terms energy: -61.929816
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -11.064
flat angles C4'-P-C4' energy: -12.135
flat angles P-C4'-P energy: -10.057
tors. eta vs tors. theta energy: -13.752
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: 5, replica: 3
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -148.110650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.110650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.110650 (E_RNA)
where:
Base-Base interactions energy: -84.752
where: short stacking energy: -45.688
Base-Backbone interact. energy: -0.195
local terms energy: -63.164285
where:
bonds (distance) C4'-P energy: -16.558
bonds (distance) P-C4' energy: -15.342
flat angles C4'-P-C4' energy: -10.388
flat angles P-C4'-P energy: -8.714
tors. eta vs tors. theta energy: -12.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -99.626890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.626890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.626890 (E_RNA)
where:
Base-Base interactions energy: -37.349
where: short stacking energy: -34.615
Base-Backbone interact. energy: -0.048
local terms energy: -62.229454
where:
bonds (distance) C4'-P energy: -15.796
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -13.606
flat angles P-C4'-P energy: -8.416
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: 7, replica: 5
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -96.110665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.110665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.110665 (E_RNA)
where:
Base-Base interactions energy: -40.972
where: short stacking energy: -33.798
Base-Backbone interact. energy: -0.767
local terms energy: -54.371854
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -12.790
flat angles C4'-P-C4' energy: -10.859
flat angles P-C4'-P energy: -11.532
tors. eta vs tors. theta energy: -6.392
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: 8, replica: 1
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -82.582029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.582029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.582029 (E_RNA)
where:
Base-Base interactions energy: -37.852
where: short stacking energy: -16.416
Base-Backbone interact. energy: 0.289
local terms energy: -45.019160
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -11.293
flat angles P-C4'-P energy: -5.964
tors. eta vs tors. theta energy: 0.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -81.324886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.324886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.324886 (E_RNA)
where:
Base-Base interactions energy: -26.617
where: short stacking energy: -26.617
Base-Backbone interact. energy: -0.153
local terms energy: -54.555747
where:
bonds (distance) C4'-P energy: -10.686
bonds (distance) P-C4' energy: -14.601
flat angles C4'-P-C4' energy: -11.861
flat angles P-C4'-P energy: -6.721
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: 10, replica: 10
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -81.195081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.195081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.195081 (E_RNA)
where:
Base-Base interactions energy: -28.969
where: short stacking energy: -28.969
Base-Backbone interact. energy: -0.090
local terms energy: -52.135802
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -17.331
flat angles C4'-P-C4' energy: -9.671
flat angles P-C4'-P energy: -7.859
tors. eta vs tors. theta energy: -3.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -208.894856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.894856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.894856 (E_RNA)
where:
Base-Base interactions energy: -134.784
where: short stacking energy: -60.465
Base-Backbone interact. energy: -0.350
local terms energy: -73.761683
where:
bonds (distance) C4'-P energy: -14.641
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -16.993
flat angles P-C4'-P energy: -11.425
tors. eta vs tors. theta energy: -16.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -208.756107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.756107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.756107 (E_RNA)
where:
Base-Base interactions energy: -138.162
where: short stacking energy: -63.657
Base-Backbone interact. energy: -0.499
local terms energy: -70.095229
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -14.697
flat angles P-C4'-P energy: -9.981
tors. eta vs tors. theta energy: -16.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -168.960275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.960275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.960275 (E_RNA)
where:
Base-Base interactions energy: -105.557
where: short stacking energy: -50.927
Base-Backbone interact. energy: 2.372
local terms energy: -65.775161
where:
bonds (distance) C4'-P energy: -8.614
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -14.477
flat angles P-C4'-P energy: -12.126
tors. eta vs tors. theta energy: -15.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -166.893720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.893720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.893720 (E_RNA)
where:
Base-Base interactions energy: -100.089
where: short stacking energy: -53.930
Base-Backbone interact. energy: -0.032
local terms energy: -66.772322
where:
bonds (distance) C4'-P energy: -14.127
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -10.984
flat angles P-C4'-P energy: -8.539
tors. eta vs tors. theta energy: -18.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -160.509158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.509158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.509158 (E_RNA)
where:
Base-Base interactions energy: -97.383
where: short stacking energy: -60.478
Base-Backbone interact. energy: -0.112
local terms energy: -63.014879
where:
bonds (distance) C4'-P energy: -12.216
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -16.053
flat angles P-C4'-P energy: -6.164
tors. eta vs tors. theta energy: -14.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -104.710903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.710903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.710903 (E_RNA)
where:
Base-Base interactions energy: -38.758
where: short stacking energy: -38.758
Base-Backbone interact. energy: -0.184
local terms energy: -65.769568
where:
bonds (distance) C4'-P energy: -14.571
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -14.692
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: -10.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -94.183874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.183874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.183874 (E_RNA)
where:
Base-Base interactions energy: -33.638
where: short stacking energy: -31.115
Base-Backbone interact. energy: -0.636
local terms energy: -59.909201
where:
bonds (distance) C4'-P energy: -16.016
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -12.022
flat angles P-C4'-P energy: -9.586
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: 8, replica: 8
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -82.740420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.740420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.740420 (E_RNA)
where:
Base-Base interactions energy: -36.148
where: short stacking energy: -27.508
Base-Backbone interact. energy: -0.197
local terms energy: -46.395074
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -12.095
flat angles C4'-P-C4' energy: -11.895
flat angles P-C4'-P energy: -5.119
tors. eta vs tors. theta energy: -3.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -79.344354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.344354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.344354 (E_RNA)
where:
Base-Base interactions energy: -29.445
where: short stacking energy: -29.445
Base-Backbone interact. energy: -0.122
local terms energy: -49.777343
where:
bonds (distance) C4'-P energy: -10.626
bonds (distance) P-C4' energy: -11.940
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -4.740
tors. eta vs tors. theta energy: -6.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -77.745288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.745288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.745288 (E_RNA)
where:
Base-Base interactions energy: -31.130
where: short stacking energy: -21.519
Base-Backbone interact. energy: -0.122
local terms energy: -46.493729
where:
bonds (distance) C4'-P energy: -9.320
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -10.075
flat angles P-C4'-P energy: -8.014
tors. eta vs tors. theta energy: -3.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -202.959028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.959028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.959028 (E_RNA)
where:
Base-Base interactions energy: -130.866
where: short stacking energy: -55.889
Base-Backbone interact. energy: -0.255
local terms energy: -71.837346
where:
bonds (distance) C4'-P energy: -15.435
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -10.017
tors. eta vs tors. theta energy: -16.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -216.308225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.308225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.308225 (E_RNA)
where:
Base-Base interactions energy: -138.108
where: short stacking energy: -63.318
Base-Backbone interact. energy: -0.002
local terms energy: -78.197866
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -18.419
flat angles P-C4'-P energy: -9.476
tors. eta vs tors. theta energy: -19.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -155.467299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.467299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.467299 (E_RNA)
where:
Base-Base interactions energy: -93.515
where: short stacking energy: -48.412
Base-Backbone interact. energy: -0.266
local terms energy: -61.686654
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -16.383
flat angles C4'-P-C4' energy: -12.463
flat angles P-C4'-P energy: -11.872
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: 4, replica: 2
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -151.255186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.255186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.255186 (E_RNA)
where:
Base-Base interactions energy: -91.524
where: short stacking energy: -33.676
Base-Backbone interact. energy: 1.899
local terms energy: -61.629632
where:
bonds (distance) C4'-P energy: -16.429
bonds (distance) P-C4' energy: -14.708
flat angles C4'-P-C4' energy: -10.581
flat angles P-C4'-P energy: -10.217
tors. eta vs tors. theta energy: -9.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -159.655077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.655077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.655077 (E_RNA)
where:
Base-Base interactions energy: -96.571
where: short stacking energy: -54.694
Base-Backbone interact. energy: -0.086
local terms energy: -62.997463
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -14.396
flat angles P-C4'-P energy: -9.392
tors. eta vs tors. theta energy: -11.320
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: 6
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -102.041785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.041785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.041785 (E_RNA)
where:
Base-Base interactions energy: -48.470
where: short stacking energy: -31.832
Base-Backbone interact. energy: -0.248
local terms energy: -53.323878
where:
bonds (distance) C4'-P energy: -12.591
bonds (distance) P-C4' energy: -14.766
flat angles C4'-P-C4' energy: -11.344
flat angles P-C4'-P energy: -8.801
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: 7, replica: 8
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -86.516047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.516047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.516047 (E_RNA)
where:
Base-Base interactions energy: -32.865
where: short stacking energy: -32.938
Base-Backbone interact. energy: -0.134
local terms energy: -53.516589
where:
bonds (distance) C4'-P energy: -11.345
bonds (distance) P-C4' energy: -14.033
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -10.818
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: 8, replica: 5
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -96.491240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.491240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.491240 (E_RNA)
where:
Base-Base interactions energy: -37.075
where: short stacking energy: -37.513
Base-Backbone interact. energy: -0.084
local terms energy: -59.332086
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -7.813
tors. eta vs tors. theta energy: -7.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -80.649702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.649702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.649702 (E_RNA)
where:
Base-Base interactions energy: -26.990
where: short stacking energy: -25.827
Base-Backbone interact. energy: -0.003
local terms energy: -53.657103
where:
bonds (distance) C4'-P energy: -14.009
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -8.622
flat angles P-C4'-P energy: -11.347
tors. eta vs tors. theta energy: -2.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -88.104185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.104185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.104185 (E_RNA)
where:
Base-Base interactions energy: -40.101
where: short stacking energy: -26.076
Base-Backbone interact. energy: 0.820
local terms energy: -48.823517
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -8.914
flat angles P-C4'-P energy: -9.048
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: 1, replica: 7
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -199.125255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.125255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.125255 (E_RNA)
where:
Base-Base interactions energy: -127.474
where: short stacking energy: -54.623
Base-Backbone interact. energy: -0.859
local terms energy: -70.791789
where:
bonds (distance) C4'-P energy: -15.905
bonds (distance) P-C4' energy: -10.923
flat angles C4'-P-C4' energy: -17.628
flat angles P-C4'-P energy: -10.832
tors. eta vs tors. theta energy: -15.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -194.577865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.577865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.577865 (E_RNA)
where:
Base-Base interactions energy: -132.898
where: short stacking energy: -50.586
Base-Backbone interact. energy: 1.809
local terms energy: -63.489411
where:
bonds (distance) C4'-P energy: -11.931
bonds (distance) P-C4' energy: -15.205
flat angles C4'-P-C4' energy: -16.446
flat angles P-C4'-P energy: -8.605
tors. eta vs tors. theta energy: -11.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -175.269744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.269744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.269744 (E_RNA)
where:
Base-Base interactions energy: -104.857
where: short stacking energy: -65.368
Base-Backbone interact. energy: -0.153
local terms energy: -70.259897
where:
bonds (distance) C4'-P energy: -14.882
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -16.070
flat angles P-C4'-P energy: -7.445
tors. eta vs tors. theta energy: -16.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -163.087349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.087349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.087349 (E_RNA)
where:
Base-Base interactions energy: -106.274
where: short stacking energy: -42.435
Base-Backbone interact. energy: -1.271
local terms energy: -55.542152
where:
bonds (distance) C4'-P energy: -11.705
bonds (distance) P-C4' energy: -11.891
flat angles C4'-P-C4' energy: -13.210
flat angles P-C4'-P energy: -12.047
tors. eta vs tors. theta energy: -6.689
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: 5, replica: 3
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -151.400343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.400343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.400343 (E_RNA)
where:
Base-Base interactions energy: -96.407
where: short stacking energy: -50.206
Base-Backbone interact. energy: -0.118
local terms energy: -54.875953
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -14.042
flat angles C4'-P-C4' energy: -13.350
flat angles P-C4'-P energy: -7.127
tors. eta vs tors. theta energy: -5.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -116.360391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.360391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.360391 (E_RNA)
where:
Base-Base interactions energy: -63.116
where: short stacking energy: -30.595
Base-Backbone interact. energy: -1.713
local terms energy: -51.531609
where:
bonds (distance) C4'-P energy: -13.582
bonds (distance) P-C4' energy: -11.434
flat angles C4'-P-C4' energy: -11.373
flat angles P-C4'-P energy: -8.843
tors. eta vs tors. theta energy: -6.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -94.628926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.628926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.628926 (E_RNA)
where:
Base-Base interactions energy: -37.392
where: short stacking energy: -37.392
Base-Backbone interact. energy: 3.070
local terms energy: -60.307368
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -15.028
flat angles P-C4'-P energy: -9.126
tors. eta vs tors. theta energy: -6.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -91.605376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.605376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.605376 (E_RNA)
where:
Base-Base interactions energy: -45.649
where: short stacking energy: -26.731
Base-Backbone interact. energy: -0.231
local terms energy: -45.725413
where:
bonds (distance) C4'-P energy: -9.997
bonds (distance) P-C4' energy: -12.549
flat angles C4'-P-C4' energy: -15.215
flat angles P-C4'-P energy: -7.196
tors. eta vs tors. theta energy: -0.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -78.910207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.910207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.910207 (E_RNA)
where:
Base-Base interactions energy: -29.540
where: short stacking energy: -23.642
Base-Backbone interact. energy: -0.087
local terms energy: -49.283379
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -10.868
flat angles C4'-P-C4' energy: -9.729
flat angles P-C4'-P energy: -11.065
tors. eta vs tors. theta energy: -4.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -70.209352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.209352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.209352 (E_RNA)
where:
Base-Base interactions energy: -24.049
where: short stacking energy: -26.415
Base-Backbone interact. energy: -0.457
local terms energy: -45.703495
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -12.466
flat angles P-C4'-P energy: -3.823
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: 284
Temperature: 0.900000
Total energy: -211.774219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.774219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.774219 (E_RNA)
where:
Base-Base interactions energy: -140.731
where: short stacking energy: -62.450
Base-Backbone interact. energy: -0.799
local terms energy: -70.243905
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -14.971
flat angles P-C4'-P energy: -11.251
tors. eta vs tors. theta energy: -15.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -192.205363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.205363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.205363 (E_RNA)
where:
Base-Base interactions energy: -121.624
where: short stacking energy: -62.845
Base-Backbone interact. energy: -0.202
local terms energy: -70.378504
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -15.915
flat angles C4'-P-C4' energy: -12.425
flat angles P-C4'-P energy: -9.087
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: 2
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -165.410157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.410157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.410157 (E_RNA)
where:
Base-Base interactions energy: -102.032
where: short stacking energy: -58.234
Base-Backbone interact. energy: -0.060
local terms energy: -63.318324
where:
bonds (distance) C4'-P energy: -11.636
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -15.367
flat angles P-C4'-P energy: -6.199
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: 4, replica: 4
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -158.534196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.534196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.534196 (E_RNA)
where:
Base-Base interactions energy: -94.923
where: short stacking energy: -50.499
Base-Backbone interact. energy: -0.053
local terms energy: -63.558792
where:
bonds (distance) C4'-P energy: -13.373
bonds (distance) P-C4' energy: -10.856
flat angles C4'-P-C4' energy: -16.793
flat angles P-C4'-P energy: -11.587
tors. eta vs tors. theta energy: -10.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -148.191123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.191123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.191123 (E_RNA)
where:
Base-Base interactions energy: -88.010
where: short stacking energy: -45.647
Base-Backbone interact. energy: -0.005
local terms energy: -60.175244
where:
bonds (distance) C4'-P energy: -10.252
bonds (distance) P-C4' energy: -17.595
flat angles C4'-P-C4' energy: -13.428
flat angles P-C4'-P energy: -8.423
tors. eta vs tors. theta energy: -10.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -97.345593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.345593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.345593 (E_RNA)
where:
Base-Base interactions energy: -46.406
where: short stacking energy: -41.386
Base-Backbone interact. energy: -0.146
local terms energy: -50.793271
where:
bonds (distance) C4'-P energy: -10.507
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -12.926
flat angles P-C4'-P energy: -7.985
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: 7, replica: 6
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -92.958034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.958034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.958034 (E_RNA)
where:
Base-Base interactions energy: -42.200
where: short stacking energy: -42.200
Base-Backbone interact. energy: -0.330
local terms energy: -50.427620
where:
bonds (distance) C4'-P energy: -8.206
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -13.300
flat angles P-C4'-P energy: -8.979
tors. eta vs tors. theta energy: -4.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -80.977521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.977521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.977521 (E_RNA)
where:
Base-Base interactions energy: -42.278
where: short stacking energy: -23.929
Base-Backbone interact. energy: -0.230
local terms energy: -38.469335
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -11.224
flat angles C4'-P-C4' energy: -5.883
flat angles P-C4'-P energy: -3.846
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: 9, replica: 1
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -79.548663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.548663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.548663 (E_RNA)
where:
Base-Base interactions energy: -26.473
where: short stacking energy: -26.364
Base-Backbone interact. energy: -1.107
local terms energy: -51.968109
where:
bonds (distance) C4'-P energy: -10.178
bonds (distance) P-C4' energy: -16.015
flat angles C4'-P-C4' energy: -12.586
flat angles P-C4'-P energy: -10.429
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: 10, replica: 5
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -77.994774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.994774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.994774 (E_RNA)
where:
Base-Base interactions energy: -24.937
where: short stacking energy: -24.937
Base-Backbone interact. energy: 1.276
local terms energy: -54.333938
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -14.998
flat angles P-C4'-P energy: -10.909
tors. eta vs tors. theta energy: -0.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -202.523062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.523062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.523062 (E_RNA)
where:
Base-Base interactions energy: -130.808
where: short stacking energy: -62.862
Base-Backbone interact. energy: -0.011
local terms energy: -71.704225
where:
bonds (distance) C4'-P energy: -15.635
bonds (distance) P-C4' energy: -13.726
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -12.460
tors. eta vs tors. theta energy: -16.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -185.828903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.828903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.828903 (E_RNA)
where:
Base-Base interactions energy: -120.778
where: short stacking energy: -51.146
Base-Backbone interact. energy: -0.157
local terms energy: -64.894033
where:
bonds (distance) C4'-P energy: -11.470
bonds (distance) P-C4' energy: -14.416
flat angles C4'-P-C4' energy: -16.066
flat angles P-C4'-P energy: -11.781
tors. eta vs tors. theta energy: -11.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -165.276003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.276003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.276003 (E_RNA)
where:
Base-Base interactions energy: -106.612
where: short stacking energy: -51.638
Base-Backbone interact. energy: -0.089
local terms energy: -58.574454
where:
bonds (distance) C4'-P energy: -12.957
bonds (distance) P-C4' energy: -15.335
flat angles C4'-P-C4' energy: -11.011
flat angles P-C4'-P energy: -10.994
tors. eta vs tors. theta energy: -8.278
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: 3
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -150.025524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.025524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.025524 (E_RNA)
where:
Base-Base interactions energy: -85.444
where: short stacking energy: -47.861
Base-Backbone interact. energy: -0.241
local terms energy: -64.340314
where:
bonds (distance) C4'-P energy: -10.931
bonds (distance) P-C4' energy: -12.168
flat angles C4'-P-C4' energy: -15.719
flat angles P-C4'-P energy: -12.042
tors. eta vs tors. theta energy: -13.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -160.114372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.114372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.114372 (E_RNA)
where:
Base-Base interactions energy: -99.049
where: short stacking energy: -52.265
Base-Backbone interact. energy: -0.734
local terms energy: -60.331271
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -12.331
flat angles C4'-P-C4' energy: -12.942
flat angles P-C4'-P energy: -9.008
tors. eta vs tors. theta energy: -13.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -96.791978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.791978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.791978 (E_RNA)
where:
Base-Base interactions energy: -41.397
where: short stacking energy: -39.427
Base-Backbone interact. energy: 0.706
local terms energy: -56.100959
where:
bonds (distance) C4'-P energy: -10.530
bonds (distance) P-C4' energy: -16.436
flat angles C4'-P-C4' energy: -11.968
flat angles P-C4'-P energy: -8.840
tors. eta vs tors. theta energy: -8.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -95.577254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.577254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.577254 (E_RNA)
where:
Base-Base interactions energy: -44.227
where: short stacking energy: -32.952
Base-Backbone interact. energy: -0.124
local terms energy: -51.226113
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -8.860
flat angles P-C4'-P energy: -9.722
tors. eta vs tors. theta energy: 0.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -95.295873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.295873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.295873 (E_RNA)
where:
Base-Base interactions energy: -41.162
where: short stacking energy: -31.200
Base-Backbone interact. energy: -0.387
local terms energy: -53.746664
where:
bonds (distance) C4'-P energy: -13.255
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -10.354
flat angles P-C4'-P energy: -8.981
tors. eta vs tors. theta energy: -4.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -71.487961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.487961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.487961 (E_RNA)
where:
Base-Base interactions energy: -27.895
where: short stacking energy: -27.504
Base-Backbone interact. energy: -0.353
local terms energy: -43.239945
where:
bonds (distance) C4'-P energy: -14.164
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -6.971
flat angles P-C4'-P energy: -11.046
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: 10, replica: 5
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -79.083913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.083913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.083913 (E_RNA)
where:
Base-Base interactions energy: -27.134
where: short stacking energy: -26.326
Base-Backbone interact. energy: -0.271
local terms energy: -51.678491
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -9.475
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: -1.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -202.095793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.095793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.095793 (E_RNA)
where:
Base-Base interactions energy: -131.955
where: short stacking energy: -59.950
Base-Backbone interact. energy: -0.047
local terms energy: -70.094037
where:
bonds (distance) C4'-P energy: -12.954
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -15.295
flat angles P-C4'-P energy: -11.860
tors. eta vs tors. theta energy: -14.355
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: 7
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -200.001309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.001309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.001309 (E_RNA)
where:
Base-Base interactions energy: -130.010
where: short stacking energy: -57.892
Base-Backbone interact. energy: -0.224
local terms energy: -69.767800
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -10.337
tors. eta vs tors. theta energy: -13.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -161.960510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.960510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.960510 (E_RNA)
where:
Base-Base interactions energy: -89.636
where: short stacking energy: -54.890
Base-Backbone interact. energy: -0.113
local terms energy: -72.211271
where:
bonds (distance) C4'-P energy: -15.273
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -16.080
flat angles P-C4'-P energy: -8.529
tors. eta vs tors. theta energy: -16.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -155.793016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.793016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.793016 (E_RNA)
where:
Base-Base interactions energy: -88.770
where: short stacking energy: -46.800
Base-Backbone interact. energy: 1.242
local terms energy: -68.265117
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -15.856
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -9.158
tors. eta vs tors. theta energy: -12.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -150.521477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.521477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.521477 (E_RNA)
where:
Base-Base interactions energy: -85.839
where: short stacking energy: -60.452
Base-Backbone interact. energy: -0.011
local terms energy: -64.671791
where:
bonds (distance) C4'-P energy: -11.420
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -15.576
flat angles P-C4'-P energy: -7.485
tors. eta vs tors. theta energy: -15.422
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: 6, replica: 8
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -89.380899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.380899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.380899 (E_RNA)
where:
Base-Base interactions energy: -37.446
where: short stacking energy: -32.653
Base-Backbone interact. energy: -0.011
local terms energy: -51.923356
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -15.335
flat angles C4'-P-C4' energy: -9.088
flat angles P-C4'-P energy: -3.215
tors. eta vs tors. theta energy: -8.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -89.944672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.944672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.944672 (E_RNA)
where:
Base-Base interactions energy: -31.687
where: short stacking energy: -28.436
Base-Backbone interact. energy: 0.572
local terms energy: -58.829479
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -10.633
tors. eta vs tors. theta energy: -3.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -105.150601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.150601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.150601 (E_RNA)
where:
Base-Base interactions energy: -56.127
where: short stacking energy: -38.740
Base-Backbone interact. energy: -0.163
local terms energy: -48.859975
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -13.732
flat angles C4'-P-C4' energy: -10.669
flat angles P-C4'-P energy: -6.688
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: 9, replica: 5
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -81.775753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.775753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.775753 (E_RNA)
where:
Base-Base interactions energy: -29.980
where: short stacking energy: -29.059
Base-Backbone interact. energy: -0.414
local terms energy: -51.381334
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -13.837
flat angles C4'-P-C4' energy: -13.412
flat angles P-C4'-P energy: -0.224
tors. eta vs tors. theta energy: -8.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -82.735050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.735050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.735050 (E_RNA)
where:
Base-Base interactions energy: -36.548
where: short stacking energy: -33.030
Base-Backbone interact. energy: -1.068
local terms energy: -45.119236
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -11.195
flat angles C4'-P-C4' energy: -9.498
flat angles P-C4'-P energy: -9.296
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: 1, replica: 9
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -209.600430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.600430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.600430 (E_RNA)
where:
Base-Base interactions energy: -133.630
where: short stacking energy: -60.947
Base-Backbone interact. energy: -0.131
local terms energy: -75.839320
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -17.239
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -11.821
tors. eta vs tors. theta energy: -16.367
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: 7
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -205.272438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.272438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.272438 (E_RNA)
where:
Base-Base interactions energy: -129.171
where: short stacking energy: -63.761
Base-Backbone interact. energy: -0.119
local terms energy: -75.982764
where:
bonds (distance) C4'-P energy: -12.301
bonds (distance) P-C4' energy: -14.382
flat angles C4'-P-C4' energy: -16.471
flat angles P-C4'-P energy: -13.707
tors. eta vs tors. theta energy: -19.122
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: 287
Temperature: 1.000000
Total energy: -166.050694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.050694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.050694 (E_RNA)
where:
Base-Base interactions energy: -92.135
where: short stacking energy: -56.529
Base-Backbone interact. energy: -0.678
local terms energy: -73.237422
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -17.134
flat angles C4'-P-C4' energy: -16.276
flat angles P-C4'-P energy: -9.344
tors. eta vs tors. theta energy: -14.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -163.823267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.823267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.823267 (E_RNA)
where:
Base-Base interactions energy: -102.405
where: short stacking energy: -57.760
Base-Backbone interact. energy: 0.197
local terms energy: -61.615537
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -12.402
flat angles C4'-P-C4' energy: -15.710
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -10.686
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: 4
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -138.106906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.106906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.106906 (E_RNA)
where:
Base-Base interactions energy: -74.953
where: short stacking energy: -55.154
Base-Backbone interact. energy: -0.648
local terms energy: -62.506594
where:
bonds (distance) C4'-P energy: -12.148
bonds (distance) P-C4' energy: -14.488
flat angles C4'-P-C4' energy: -15.145
flat angles P-C4'-P energy: -7.292
tors. eta vs tors. theta energy: -13.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -101.000301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.000301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.000301 (E_RNA)
where:
Base-Base interactions energy: -44.577
where: short stacking energy: -32.657
Base-Backbone interact. energy: 0.586
local terms energy: -57.009233
where:
bonds (distance) C4'-P energy: -14.725
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -13.646
flat angles P-C4'-P energy: -10.609
tors. eta vs tors. theta energy: -2.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -92.029414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.029414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.029414 (E_RNA)
where:
Base-Base interactions energy: -44.050
where: short stacking energy: -36.312
Base-Backbone interact. energy: -0.214
local terms energy: -47.765867
where:
bonds (distance) C4'-P energy: -11.636
bonds (distance) P-C4' energy: -14.130
flat angles C4'-P-C4' energy: -10.663
flat angles P-C4'-P energy: -4.205
tors. eta vs tors. theta energy: -7.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -85.973051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.973051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.973051 (E_RNA)
where:
Base-Base interactions energy: -32.303
where: short stacking energy: -30.879
Base-Backbone interact. energy: 0.447
local terms energy: -54.117458
where:
bonds (distance) C4'-P energy: -14.511
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -11.299
flat angles P-C4'-P energy: -9.177
tors. eta vs tors. theta energy: -1.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -90.820018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.820018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.820018 (E_RNA)
where:
Base-Base interactions energy: -35.532
where: short stacking energy: -26.210
Base-Backbone interact. energy: -0.131
local terms energy: -55.156745
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -14.942
flat angles C4'-P-C4' energy: -10.918
flat angles P-C4'-P energy: -12.318
tors. eta vs tors. theta energy: -4.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -85.570261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.570261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.570261 (E_RNA)
where:
Base-Base interactions energy: -30.592
where: short stacking energy: -25.782
Base-Backbone interact. energy: -0.248
local terms energy: -54.730838
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -14.355
flat angles C4'-P-C4' energy: -13.312
flat angles P-C4'-P energy: -10.248
tors. eta vs tors. theta energy: -2.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -210.237391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.237391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.237391 (E_RNA)
where:
Base-Base interactions energy: -145.716
where: short stacking energy: -61.136
Base-Backbone interact. energy: 0.867
local terms energy: -65.388307
where:
bonds (distance) C4'-P energy: -13.443
bonds (distance) P-C4' energy: -13.678
flat angles C4'-P-C4' energy: -11.165
flat angles P-C4'-P energy: -11.765
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: 2, replica: 7
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -205.603628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.603628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.603628 (E_RNA)
where:
Base-Base interactions energy: -135.011
where: short stacking energy: -59.978
Base-Backbone interact. energy: -0.037
local terms energy: -70.555988
where:
bonds (distance) C4'-P energy: -16.256
bonds (distance) P-C4' energy: -15.996
flat angles C4'-P-C4' energy: -12.816
flat angles P-C4'-P energy: -8.473
tors. eta vs tors. theta energy: -17.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -171.367932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.367932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.367932 (E_RNA)
where:
Base-Base interactions energy: -113.684
where: short stacking energy: -56.146
Base-Backbone interact. energy: 1.364
local terms energy: -59.048485
where:
bonds (distance) C4'-P energy: -13.443
bonds (distance) P-C4' energy: -12.221
flat angles C4'-P-C4' energy: -15.178
flat angles P-C4'-P energy: -8.510
tors. eta vs tors. theta energy: -9.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -172.941141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.941141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.941141 (E_RNA)
where:
Base-Base interactions energy: -104.615
where: short stacking energy: -58.893
Base-Backbone interact. energy: -0.539
local terms energy: -67.786923
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -16.219
flat angles P-C4'-P energy: -5.691
tors. eta vs tors. theta energy: -13.412
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: 8
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -99.825972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.825972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.825972 (E_RNA)
where:
Base-Base interactions energy: -39.477
where: short stacking energy: -36.336
Base-Backbone interact. energy: 1.698
local terms energy: -62.047860
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -15.875
flat angles C4'-P-C4' energy: -14.543
flat angles P-C4'-P energy: -11.961
tors. eta vs tors. theta energy: -6.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -112.446486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.446486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.446486 (E_RNA)
where:
Base-Base interactions energy: -62.781
where: short stacking energy: -36.394
Base-Backbone interact. energy: -0.223
local terms energy: -49.443176
where:
bonds (distance) C4'-P energy: -11.817
bonds (distance) P-C4' energy: -11.665
flat angles C4'-P-C4' energy: -12.407
flat angles P-C4'-P energy: -9.133
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: 7, replica: 6
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -92.365015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.365015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.365015 (E_RNA)
where:
Base-Base interactions energy: -39.983
where: short stacking energy: -33.274
Base-Backbone interact. energy: 0.830
local terms energy: -53.212674
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -8.502
flat angles P-C4'-P energy: -7.260
tors. eta vs tors. theta energy: -7.250
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: 1
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -94.108120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.108120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.108120 (E_RNA)
where:
Base-Base interactions energy: -40.159
where: short stacking energy: -40.159
Base-Backbone interact. energy: -0.090
local terms energy: -53.859341
where:
bonds (distance) C4'-P energy: -11.350
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -10.871
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: -6.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -86.465530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.465530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.465530 (E_RNA)
where:
Base-Base interactions energy: -31.707
where: short stacking energy: -30.029
Base-Backbone interact. energy: -0.070
local terms energy: -54.688311
where:
bonds (distance) C4'-P energy: -12.198
bonds (distance) P-C4' energy: -15.239
flat angles C4'-P-C4' energy: -11.890
flat angles P-C4'-P energy: -10.070
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: 10, replica: 5
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -76.701524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.701524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.701524 (E_RNA)
where:
Base-Base interactions energy: -29.104
where: short stacking energy: -24.243
Base-Backbone interact. energy: -0.170
local terms energy: -47.427804
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -9.705
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: 1.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -208.680728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.680728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.680728 (E_RNA)
where:
Base-Base interactions energy: -135.305
where: short stacking energy: -58.583
Base-Backbone interact. energy: -0.098
local terms energy: -73.278027
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -16.884
flat angles C4'-P-C4' energy: -14.820
flat angles P-C4'-P energy: -9.604
tors. eta vs tors. theta energy: -16.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -200.755238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.755238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.755238 (E_RNA)
where:
Base-Base interactions energy: -133.295
where: short stacking energy: -60.625
Base-Backbone interact. energy: -0.125
local terms energy: -67.335334
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -11.456
flat angles P-C4'-P energy: -9.859
tors. eta vs tors. theta energy: -14.927
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: 2
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -180.886456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.886456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.886456 (E_RNA)
where:
Base-Base interactions energy: -113.022
where: short stacking energy: -62.295
Base-Backbone interact. energy: 0.586
local terms energy: -68.450810
where:
bonds (distance) C4'-P energy: -12.298
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -11.431
flat angles P-C4'-P energy: -10.473
tors. eta vs tors. theta energy: -18.055
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: 8
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -118.795089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.795089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.795089 (E_RNA)
where:
Base-Base interactions energy: -61.656
where: short stacking energy: -40.057
Base-Backbone interact. energy: -0.202
local terms energy: -56.937276
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -11.892
flat angles P-C4'-P energy: -7.499
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: 5, replica: 3
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -148.767415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.767415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.767415 (E_RNA)
where:
Base-Base interactions energy: -92.348
where: short stacking energy: -52.219
Base-Backbone interact. energy: -0.001
local terms energy: -56.418233
where:
bonds (distance) C4'-P energy: -10.994
bonds (distance) P-C4' energy: -16.698
flat angles C4'-P-C4' energy: -13.863
flat angles P-C4'-P energy: -3.811
tors. eta vs tors. theta energy: -11.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -97.098262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.098262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.098262 (E_RNA)
where:
Base-Base interactions energy: -41.143
where: short stacking energy: -40.590
Base-Backbone interact. energy: -0.148
local terms energy: -55.807076
where:
bonds (distance) C4'-P energy: -13.041
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -7.225
flat angles P-C4'-P energy: -9.368
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: 7, replica: 4
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -122.351377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.351377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.351377 (E_RNA)
where:
Base-Base interactions energy: -69.471
where: short stacking energy: -39.256
Base-Backbone interact. energy: -1.583
local terms energy: -51.296861
where:
bonds (distance) C4'-P energy: -9.148
bonds (distance) P-C4' energy: -13.806
flat angles C4'-P-C4' energy: -9.677
flat angles P-C4'-P energy: -7.964
tors. eta vs tors. theta energy: -10.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -86.233070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.233070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.233070 (E_RNA)
where:
Base-Base interactions energy: -32.212
where: short stacking energy: -28.742
Base-Backbone interact. energy: -0.495
local terms energy: -53.525746
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -14.495
flat angles P-C4'-P energy: -8.728
tors. eta vs tors. theta energy: -0.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -84.421320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.421320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.421320 (E_RNA)
where:
Base-Base interactions energy: -34.792
where: short stacking energy: -15.786
Base-Backbone interact. energy: -0.065
local terms energy: -49.564263
where:
bonds (distance) C4'-P energy: -13.965
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -14.361
flat angles P-C4'-P energy: -5.595
tors. eta vs tors. theta energy: 2.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -74.430649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.430649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.430649 (E_RNA)
where:
Base-Base interactions energy: -20.279
where: short stacking energy: -16.907
Base-Backbone interact. energy: 0.298
local terms energy: -54.449186
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -17.827
flat angles C4'-P-C4' energy: -15.442
flat angles P-C4'-P energy: -8.413
tors. eta vs tors. theta energy: 2.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -201.964681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.964681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.964681 (E_RNA)
where:
Base-Base interactions energy: -129.245
where: short stacking energy: -67.719
Base-Backbone interact. energy: -0.023
local terms energy: -72.696519
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -16.859
flat angles P-C4'-P energy: -10.511
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: 9
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -205.287436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.287436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.287436 (E_RNA)
where:
Base-Base interactions energy: -132.701
where: short stacking energy: -58.041
Base-Backbone interact. energy: -0.099
local terms energy: -72.487282
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -17.373
flat angles P-C4'-P energy: -8.960
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: 3, replica: 2
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -182.901642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.901642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.901642 (E_RNA)
where:
Base-Base interactions energy: -119.183
where: short stacking energy: -48.751
Base-Backbone interact. energy: -0.663
local terms energy: -63.055357
where:
bonds (distance) C4'-P energy: -16.356
bonds (distance) P-C4' energy: -10.218
flat angles C4'-P-C4' energy: -15.413
flat angles P-C4'-P energy: -9.096
tors. eta vs tors. theta energy: -11.972
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: 8
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -107.065163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.065163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.065163 (E_RNA)
where:
Base-Base interactions energy: -44.917
where: short stacking energy: -44.665
Base-Backbone interact. energy: -0.679
local terms energy: -61.468719
where:
bonds (distance) C4'-P energy: -13.963
bonds (distance) P-C4' energy: -15.263
flat angles C4'-P-C4' energy: -12.951
flat angles P-C4'-P energy: -9.987
tors. eta vs tors. theta energy: -9.306
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: 3
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -150.857593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.857593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.857593 (E_RNA)
where:
Base-Base interactions energy: -88.536
where: short stacking energy: -58.448
Base-Backbone interact. energy: -0.546
local terms energy: -61.775218
where:
bonds (distance) C4'-P energy: -13.926
bonds (distance) P-C4' energy: -11.432
flat angles C4'-P-C4' energy: -16.259
flat angles P-C4'-P energy: -11.249
tors. eta vs tors. theta energy: -8.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -94.906406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.906406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.906406 (E_RNA)
where:
Base-Base interactions energy: -39.080
where: short stacking energy: -33.166
Base-Backbone interact. energy: -0.056
local terms energy: -55.771298
where:
bonds (distance) C4'-P energy: -10.804
bonds (distance) P-C4' energy: -13.422
flat angles C4'-P-C4' energy: -15.880
flat angles P-C4'-P energy: -9.919
tors. eta vs tors. theta energy: -5.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -87.122903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.122903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.122903 (E_RNA)
where:
Base-Base interactions energy: -32.899
where: short stacking energy: -32.899
Base-Backbone interact. energy: 0.626
local terms energy: -54.849969
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -12.091
flat angles C4'-P-C4' energy: -12.814
flat angles P-C4'-P energy: -11.728
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: 290
Temperature: 1.250000
Total energy: -144.328760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.328760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.328760 (E_RNA)
where:
Base-Base interactions energy: -78.247
where: short stacking energy: -42.894
Base-Backbone interact. energy: -1.354
local terms energy: -64.728246
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -12.414
flat angles C4'-P-C4' energy: -16.218
flat angles P-C4'-P energy: -8.882
tors. eta vs tors. theta energy: -12.130
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: 5
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -91.553432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.553432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.553432 (E_RNA)
where:
Base-Base interactions energy: -39.661
where: short stacking energy: -39.661
Base-Backbone interact. energy: -0.068
local terms energy: -51.824777
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -12.798
flat angles C4'-P-C4' energy: -16.019
flat angles P-C4'-P energy: -1.214
tors. eta vs tors. theta energy: -7.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -79.488548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.488548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.488548 (E_RNA)
where:
Base-Base interactions energy: -31.714
where: short stacking energy: -26.705
Base-Backbone interact. energy: -0.138
local terms energy: -47.636037
where:
bonds (distance) C4'-P energy: -14.791
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -10.660
flat angles P-C4'-P energy: -7.101
tors. eta vs tors. theta energy: -0.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -203.937269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.937269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.937269 (E_RNA)
where:
Base-Base interactions energy: -129.201
where: short stacking energy: -61.182
Base-Backbone interact. energy: -0.003
local terms energy: -74.733612
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -14.254
flat angles P-C4'-P energy: -11.413
tors. eta vs tors. theta energy: -16.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -207.345224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.345224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.345224 (E_RNA)
where:
Base-Base interactions energy: -135.677
where: short stacking energy: -60.623
Base-Backbone interact. energy: -0.269
local terms energy: -71.399483
where:
bonds (distance) C4'-P energy: -16.400
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -14.187
flat angles P-C4'-P energy: -7.502
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: 3, replica: 2
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -190.008271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.008271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.008271 (E_RNA)
where:
Base-Base interactions energy: -118.496
where: short stacking energy: -57.952
Base-Backbone interact. energy: -0.008
local terms energy: -71.505233
where:
bonds (distance) C4'-P energy: -17.568
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -16.018
flat angles P-C4'-P energy: -11.302
tors. eta vs tors. theta energy: -13.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -148.559987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.559987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.559987 (E_RNA)
where:
Base-Base interactions energy: -90.709
where: short stacking energy: -55.579
Base-Backbone interact. energy: -0.023
local terms energy: -57.827919
where:
bonds (distance) C4'-P energy: -14.065
bonds (distance) P-C4' energy: -13.144
flat angles C4'-P-C4' energy: -11.201
flat angles P-C4'-P energy: -10.100
tors. eta vs tors. theta energy: -9.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -97.681288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.681288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.681288 (E_RNA)
where:
Base-Base interactions energy: -38.427
where: short stacking energy: -37.213
Base-Backbone interact. energy: -0.085
local terms energy: -59.168820
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -14.492
flat angles C4'-P-C4' energy: -11.008
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -7.291
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: 6
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -98.938951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.938951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.938951 (E_RNA)
where:
Base-Base interactions energy: -36.665
where: short stacking energy: -33.128
Base-Backbone interact. energy: -0.202
local terms energy: -62.072017
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -10.856
flat angles C4'-P-C4' energy: -17.137
flat angles P-C4'-P energy: -12.404
tors. eta vs tors. theta energy: -6.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -93.512293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.512293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.512293 (E_RNA)
where:
Base-Base interactions energy: -36.206
where: short stacking energy: -35.738
Base-Backbone interact. energy: -0.082
local terms energy: -57.224951
where:
bonds (distance) C4'-P energy: -11.610
bonds (distance) P-C4' energy: -12.223
flat angles C4'-P-C4' energy: -17.693
flat angles P-C4'-P energy: -9.374
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: 8, replica: 4
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -136.949061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.949061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.949061 (E_RNA)
where:
Base-Base interactions energy: -81.823
where: short stacking energy: -46.278
Base-Backbone interact. energy: -0.044
local terms energy: -55.082464
where:
bonds (distance) C4'-P energy: -10.104
bonds (distance) P-C4' energy: -14.541
flat angles C4'-P-C4' energy: -13.162
flat angles P-C4'-P energy: -8.838
tors. eta vs tors. theta energy: -8.438
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: 5
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -98.759261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.759261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.759261 (E_RNA)
where:
Base-Base interactions energy: -40.796
where: short stacking energy: -37.535
Base-Backbone interact. energy: 0.131
local terms energy: -58.094588
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -13.142
flat angles C4'-P-C4' energy: -14.526
flat angles P-C4'-P energy: -6.556
tors. eta vs tors. theta energy: -8.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -78.837906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.837906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.837906 (E_RNA)
where:
Base-Base interactions energy: -36.542
where: short stacking energy: -31.111
Base-Backbone interact. energy: -0.767
local terms energy: -41.528508
where:
bonds (distance) C4'-P energy: -16.706
bonds (distance) P-C4' energy: -11.147
flat angles C4'-P-C4' energy: -7.629
flat angles P-C4'-P energy: -6.947
tors. eta vs tors. theta energy: 0.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -205.989818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.989818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.989818 (E_RNA)
where:
Base-Base interactions energy: -138.152
where: short stacking energy: -53.069
Base-Backbone interact. energy: -0.129
local terms energy: -67.708883
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -13.964
flat angles C4'-P-C4' energy: -16.001
flat angles P-C4'-P energy: -11.945
tors. eta vs tors. theta energy: -11.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -203.152897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.152897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.152897 (E_RNA)
where:
Base-Base interactions energy: -131.680
where: short stacking energy: -53.984
Base-Backbone interact. energy: -0.549
local terms energy: -70.923345
where:
bonds (distance) C4'-P energy: -15.220
bonds (distance) P-C4' energy: -17.455
flat angles C4'-P-C4' energy: -16.052
flat angles P-C4'-P energy: -8.837
tors. eta vs tors. theta energy: -13.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -185.794613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.794613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.794613 (E_RNA)
where:
Base-Base interactions energy: -117.245
where: short stacking energy: -51.413
Base-Backbone interact. energy: -0.079
local terms energy: -68.469871
where:
bonds (distance) C4'-P energy: -9.164
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -15.427
flat angles P-C4'-P energy: -9.699
tors. eta vs tors. theta energy: -18.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -165.407586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.407586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.407586 (E_RNA)
where:
Base-Base interactions energy: -90.731
where: short stacking energy: -56.296
Base-Backbone interact. energy: -0.059
local terms energy: -74.617212
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -13.320
flat angles C4'-P-C4' energy: -13.480
flat angles P-C4'-P energy: -12.210
tors. eta vs tors. theta energy: -19.160
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: 5, replica: 6
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -127.745531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.745531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.745531 (E_RNA)
where:
Base-Base interactions energy: -65.739
where: short stacking energy: -44.346
Base-Backbone interact. energy: -0.142
local terms energy: -61.864866
where:
bonds (distance) C4'-P energy: -16.749
bonds (distance) P-C4' energy: -10.874
flat angles C4'-P-C4' energy: -16.697
flat angles P-C4'-P energy: -9.762
tors. eta vs tors. theta energy: -7.782
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: 8
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -123.607178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.607178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.607178 (E_RNA)
where:
Base-Base interactions energy: -73.204
where: short stacking energy: -44.917
Base-Backbone interact. energy: -0.029
local terms energy: -50.373942
where:
bonds (distance) C4'-P energy: -11.316
bonds (distance) P-C4' energy: -15.748
flat angles C4'-P-C4' energy: -9.314
flat angles P-C4'-P energy: -8.066
tors. eta vs tors. theta energy: -5.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -133.952324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.952324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.952324 (E_RNA)
where:
Base-Base interactions energy: -80.000
where: short stacking energy: -34.328
Base-Backbone interact. energy: -1.087
local terms energy: -52.865062
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -13.297
flat angles C4'-P-C4' energy: -14.239
flat angles P-C4'-P energy: -5.044
tors. eta vs tors. theta energy: -4.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -83.640541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.640541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.640541 (E_RNA)
where:
Base-Base interactions energy: -33.227
where: short stacking energy: -33.627
Base-Backbone interact. energy: -0.192
local terms energy: -50.221898
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -13.764
flat angles C4'-P-C4' energy: -11.385
flat angles P-C4'-P energy: -6.002
tors. eta vs tors. theta energy: -3.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -75.196186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.196186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.196186 (E_RNA)
where:
Base-Base interactions energy: -27.469
where: short stacking energy: -25.451
Base-Backbone interact. energy: -0.123
local terms energy: -47.605078
where:
bonds (distance) C4'-P energy: -11.491
bonds (distance) P-C4' energy: -8.090
flat angles C4'-P-C4' energy: -12.048
flat angles P-C4'-P energy: -7.257
tors. eta vs tors. theta energy: -8.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -76.557795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.557795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.557795 (E_RNA)
where:
Base-Base interactions energy: -27.060
where: short stacking energy: -25.512
Base-Backbone interact. energy: -0.067
local terms energy: -49.430705
where:
bonds (distance) C4'-P energy: -13.417
bonds (distance) P-C4' energy: -12.500
flat angles C4'-P-C4' energy: -13.960
flat angles P-C4'-P energy: -10.666
tors. eta vs tors. theta energy: 1.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -208.597345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.597345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.597345 (E_RNA)
where:
Base-Base interactions energy: -144.438
where: short stacking energy: -70.811
Base-Backbone interact. energy: 1.244
local terms energy: -65.403385
where:
bonds (distance) C4'-P energy: -9.842
bonds (distance) P-C4' energy: -11.286
flat angles C4'-P-C4' energy: -18.031
flat angles P-C4'-P energy: -11.815
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: 2, replica: 2
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -196.498826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.498826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.498826 (E_RNA)
where:
Base-Base interactions energy: -117.596
where: short stacking energy: -52.770
Base-Backbone interact. energy: -0.071
local terms energy: -78.832082
where:
bonds (distance) C4'-P energy: -17.994
bonds (distance) P-C4' energy: -17.502
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -12.542
tors. eta vs tors. theta energy: -16.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -203.675701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.675701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.675701 (E_RNA)
where:
Base-Base interactions energy: -137.475
where: short stacking energy: -61.811
Base-Backbone interact. energy: -0.020
local terms energy: -66.179903
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -16.370
flat angles C4'-P-C4' energy: -15.061
flat angles P-C4'-P energy: -5.756
tors. eta vs tors. theta energy: -15.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -157.384872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.384872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.384872 (E_RNA)
where:
Base-Base interactions energy: -96.963
where: short stacking energy: -59.557
Base-Backbone interact. energy: -2.518
local terms energy: -57.904124
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -10.973
flat angles C4'-P-C4' energy: -16.029
flat angles P-C4'-P energy: -6.056
tors. eta vs tors. theta energy: -9.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -154.460337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.460337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.460337 (E_RNA)
where:
Base-Base interactions energy: -87.091
where: short stacking energy: -59.673
Base-Backbone interact. energy: -0.177
local terms energy: -67.192193
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -14.387
flat angles C4'-P-C4' energy: -14.200
flat angles P-C4'-P energy: -8.659
tors. eta vs tors. theta energy: -14.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -127.867188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.867188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.867188 (E_RNA)
where:
Base-Base interactions energy: -68.978
where: short stacking energy: -44.153
Base-Backbone interact. energy: -0.495
local terms energy: -58.393954
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -10.857
flat angles C4'-P-C4' energy: -13.209
flat angles P-C4'-P energy: -8.840
tors. eta vs tors. theta energy: -12.043
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: 4
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -120.038859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.038859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.038859 (E_RNA)
where:
Base-Base interactions energy: -61.636
where: short stacking energy: -41.029
Base-Backbone interact. energy: -0.225
local terms energy: -58.178120
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -9.714
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -5.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -92.212520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.212520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.212520 (E_RNA)
where:
Base-Base interactions energy: -33.383
where: short stacking energy: -32.539
Base-Backbone interact. energy: -0.024
local terms energy: -58.806013
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -13.498
flat angles C4'-P-C4' energy: -14.258
flat angles P-C4'-P energy: -8.613
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: 9, replica: 10
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -80.058905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.058905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.058905 (E_RNA)
where:
Base-Base interactions energy: -32.627
where: short stacking energy: -28.551
Base-Backbone interact. energy: -0.575
local terms energy: -46.856252
where:
bonds (distance) C4'-P energy: -15.930
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -6.125
flat angles P-C4'-P energy: -9.746
tors. eta vs tors. theta energy: 0.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -75.884848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.884848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.884848 (E_RNA)
where:
Base-Base interactions energy: -26.416
where: short stacking energy: -22.321
Base-Backbone interact. energy: -0.300
local terms energy: -49.169151
where:
bonds (distance) C4'-P energy: -12.323
bonds (distance) P-C4' energy: -14.617
flat angles C4'-P-C4' energy: -15.738
flat angles P-C4'-P energy: -7.408
tors. eta vs tors. theta energy: 0.917
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: 1, replica: 2
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -206.971658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.971658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.971658 (E_RNA)
where:
Base-Base interactions energy: -138.641
where: short stacking energy: -66.365
Base-Backbone interact. energy: 0.222
local terms energy: -68.552252
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -16.704
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: 7
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -190.420788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.420788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.420788 (E_RNA)
where:
Base-Base interactions energy: -125.228
where: short stacking energy: -57.247
Base-Backbone interact. energy: -0.102
local terms energy: -65.090588
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -17.170
flat angles C4'-P-C4' energy: -11.122
flat angles P-C4'-P energy: -8.428
tors. eta vs tors. theta energy: -13.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -194.333979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.333979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.333979 (E_RNA)
where:
Base-Base interactions energy: -130.526
where: short stacking energy: -54.664
Base-Backbone interact. energy: -0.139
local terms energy: -63.668198
where:
bonds (distance) C4'-P energy: -10.207
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -14.306
flat angles P-C4'-P energy: -12.183
tors. eta vs tors. theta energy: -12.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -127.851740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.851740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.851740 (E_RNA)
where:
Base-Base interactions energy: -70.999
where: short stacking energy: -41.598
Base-Backbone interact. energy: -0.858
local terms energy: -55.994698
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -12.137
flat angles P-C4'-P energy: -10.302
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: 5, replica: 3
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -152.044037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.044037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.044037 (E_RNA)
where:
Base-Base interactions energy: -92.919
where: short stacking energy: -53.629
Base-Backbone interact. energy: -0.468
local terms energy: -58.657177
where:
bonds (distance) C4'-P energy: -9.255
bonds (distance) P-C4' energy: -13.835
flat angles C4'-P-C4' energy: -13.829
flat angles P-C4'-P energy: -9.138
tors. eta vs tors. theta energy: -12.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -90.258494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.258494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.258494 (E_RNA)
where:
Base-Base interactions energy: -31.805
where: short stacking energy: -31.805
Base-Backbone interact. energy: -0.069
local terms energy: -58.384866
where:
bonds (distance) C4'-P energy: -11.901
bonds (distance) P-C4' energy: -14.813
flat angles C4'-P-C4' energy: -13.067
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -8.023
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: 4
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -146.002682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.002682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.002682 (E_RNA)
where:
Base-Base interactions energy: -87.634
where: short stacking energy: -46.003
Base-Backbone interact. energy: -0.327
local terms energy: -58.041318
where:
bonds (distance) C4'-P energy: -9.312
bonds (distance) P-C4' energy: -10.370
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -11.916
tors. eta vs tors. theta energy: -12.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -93.546453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.546453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.546453 (E_RNA)
where:
Base-Base interactions energy: -40.369
where: short stacking energy: -39.979
Base-Backbone interact. energy: -0.096
local terms energy: -53.082110
where:
bonds (distance) C4'-P energy: -10.568
bonds (distance) P-C4' energy: -12.883
flat angles C4'-P-C4' energy: -14.145
flat angles P-C4'-P energy: -8.992
tors. eta vs tors. theta energy: -6.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -85.753886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.753886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.753886 (E_RNA)
where:
Base-Base interactions energy: -32.578
where: short stacking energy: -28.893
Base-Backbone interact. energy: -0.945
local terms energy: -52.231388
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -13.352
flat angles C4'-P-C4' energy: -10.721
flat angles P-C4'-P energy: -8.903
tors. eta vs tors. theta energy: -5.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -93.487698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.487698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.487698 (E_RNA)
where:
Base-Base interactions energy: -46.259
where: short stacking energy: -37.621
Base-Backbone interact. energy: -0.001
local terms energy: -47.227682
where:
bonds (distance) C4'-P energy: -10.481
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -11.464
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: -3.176
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: 2
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -200.373597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.373597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.373597 (E_RNA)
where:
Base-Base interactions energy: -130.829
where: short stacking energy: -63.844
Base-Backbone interact. energy: -0.001
local terms energy: -69.542924
where:
bonds (distance) C4'-P energy: -15.494
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -14.032
flat angles P-C4'-P energy: -8.838
tors. eta vs tors. theta energy: -15.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -181.292924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.292924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.292924 (E_RNA)
where:
Base-Base interactions energy: -116.012
where: short stacking energy: -54.494
Base-Backbone interact. energy: -0.774
local terms energy: -64.507250
where:
bonds (distance) C4'-P energy: -13.553
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -14.038
flat angles P-C4'-P energy: -2.812
tors. eta vs tors. theta energy: -15.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -192.321229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.321229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.321229 (E_RNA)
where:
Base-Base interactions energy: -120.373
where: short stacking energy: -55.811
Base-Backbone interact. energy: 0.403
local terms energy: -72.350763
where:
bonds (distance) C4'-P energy: -11.495
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -15.396
flat angles P-C4'-P energy: -12.452
tors. eta vs tors. theta energy: -15.964
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: 3
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -150.765116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.765116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.765116 (E_RNA)
where:
Base-Base interactions energy: -87.695
where: short stacking energy: -55.343
Base-Backbone interact. energy: -2.566
local terms energy: -60.503881
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -18.004
flat angles C4'-P-C4' energy: -5.585
flat angles P-C4'-P energy: -10.447
tors. eta vs tors. theta energy: -12.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -105.782298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.782298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.782298 (E_RNA)
where:
Base-Base interactions energy: -50.233
where: short stacking energy: -50.233
Base-Backbone interact. energy: -0.005
local terms energy: -55.544939
where:
bonds (distance) C4'-P energy: -15.136
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -9.300
flat angles P-C4'-P energy: -3.983
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: 6, replica: 4
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -156.684482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.684482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.684482 (E_RNA)
where:
Base-Base interactions energy: -95.277
where: short stacking energy: -44.352
Base-Backbone interact. energy: -0.002
local terms energy: -61.405624
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -13.165
flat angles P-C4'-P energy: -12.042
tors. eta vs tors. theta energy: -10.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -102.221013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.221013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.221013 (E_RNA)
where:
Base-Base interactions energy: -46.183
where: short stacking energy: -36.548
Base-Backbone interact. energy: -0.087
local terms energy: -55.951143
where:
bonds (distance) C4'-P energy: -13.006
bonds (distance) P-C4' energy: -12.250
flat angles C4'-P-C4' energy: -13.984
flat angles P-C4'-P energy: -9.686
tors. eta vs tors. theta energy: -7.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -95.931458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.931458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.931458 (E_RNA)
where:
Base-Base interactions energy: -41.887
where: short stacking energy: -35.706
Base-Backbone interact. energy: -0.233
local terms energy: -53.811403
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -8.255
flat angles C4'-P-C4' energy: -15.475
flat angles P-C4'-P energy: -9.155
tors. eta vs tors. theta energy: -7.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -84.426680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.426680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.426680 (E_RNA)
where:
Base-Base interactions energy: -44.922
where: short stacking energy: -32.714
Base-Backbone interact. energy: -0.749
local terms energy: -38.755963
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -14.103
flat angles C4'-P-C4' energy: -7.297
flat angles P-C4'-P energy: -3.387
tors. eta vs tors. theta energy: -1.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -75.095532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.095532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.095532 (E_RNA)
where:
Base-Base interactions energy: -23.460
where: short stacking energy: -20.507
Base-Backbone interact. energy: -0.021
local terms energy: -51.614712
where:
bonds (distance) C4'-P energy: -16.069
bonds (distance) P-C4' energy: -12.471
flat angles C4'-P-C4' energy: -9.042
flat angles P-C4'-P energy: -12.018
tors. eta vs tors. theta energy: -2.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -198.123735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.123735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.123735 (E_RNA)
where:
Base-Base interactions energy: -129.692
where: short stacking energy: -55.641
Base-Backbone interact. energy: -0.348
local terms energy: -68.083373
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -14.224
flat angles C4'-P-C4' energy: -14.350
flat angles P-C4'-P energy: -13.058
tors. eta vs tors. theta energy: -11.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -184.710117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.710117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.710117 (E_RNA)
where:
Base-Base interactions energy: -117.994
where: short stacking energy: -54.705
Base-Backbone interact. energy: 0.238
local terms energy: -66.953642
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -13.885
flat angles C4'-P-C4' energy: -16.324
flat angles P-C4'-P energy: -9.796
tors. eta vs tors. theta energy: -12.403
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: 9
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -192.241641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.241641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.241641 (E_RNA)
where:
Base-Base interactions energy: -113.756
where: short stacking energy: -59.989
Base-Backbone interact. energy: -0.861
local terms energy: -77.625476
where:
bonds (distance) C4'-P energy: -16.170
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -17.299
flat angles P-C4'-P energy: -11.828
tors. eta vs tors. theta energy: -16.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -170.570336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.570336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.570336 (E_RNA)
where:
Base-Base interactions energy: -111.491
where: short stacking energy: -49.910
Base-Backbone interact. energy: -0.335
local terms energy: -58.744964
where:
bonds (distance) C4'-P energy: -6.166
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -11.302
tors. eta vs tors. theta energy: -11.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -166.774542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.774542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.774542 (E_RNA)
where:
Base-Base interactions energy: -108.220
where: short stacking energy: -53.267
Base-Backbone interact. energy: -0.058
local terms energy: -58.496507
where:
bonds (distance) C4'-P energy: -12.804
bonds (distance) P-C4' energy: -9.226
flat angles C4'-P-C4' energy: -14.361
flat angles P-C4'-P energy: -11.024
tors. eta vs tors. theta energy: -11.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -100.497729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.497729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.497729 (E_RNA)
where:
Base-Base interactions energy: -35.837
where: short stacking energy: -35.837
Base-Backbone interact. energy: -0.109
local terms energy: -64.552339
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -12.949
flat angles P-C4'-P energy: -11.821
tors. eta vs tors. theta energy: -6.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -91.827271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.827271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.827271 (E_RNA)
where:
Base-Base interactions energy: -43.666
where: short stacking energy: -20.588
Base-Backbone interact. energy: -1.069
local terms energy: -47.092115
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -15.159
flat angles C4'-P-C4' energy: -11.316
flat angles P-C4'-P energy: -8.158
tors. eta vs tors. theta energy: 2.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -85.587317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.587317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.587317 (E_RNA)
where:
Base-Base interactions energy: -35.263
where: short stacking energy: -29.980
Base-Backbone interact. energy: -0.098
local terms energy: -50.225793
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -6.783
flat angles C4'-P-C4' energy: -11.677
flat angles P-C4'-P energy: -10.896
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: 5
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -78.695228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.695228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.695228 (E_RNA)
where:
Base-Base interactions energy: -32.488
where: short stacking energy: -27.113
Base-Backbone interact. energy: -0.757
local terms energy: -45.450218
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -11.541
flat angles C4'-P-C4' energy: -8.516
flat angles P-C4'-P energy: -10.537
tors. eta vs tors. theta energy: 0.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -85.004174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.004174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.004174 (E_RNA)
where:
Base-Base interactions energy: -34.593
where: short stacking energy: -25.398
Base-Backbone interact. energy: -0.025
local terms energy: -50.386028
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -14.321
flat angles C4'-P-C4' energy: -10.445
flat angles P-C4'-P energy: -4.799
tors. eta vs tors. theta energy: -6.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -200.550057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.550057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.550057 (E_RNA)
where:
Base-Base interactions energy: -125.868
where: short stacking energy: -53.599
Base-Backbone interact. energy: -0.259
local terms energy: -74.423385
where:
bonds (distance) C4'-P energy: -15.578
bonds (distance) P-C4' energy: -13.781
flat angles C4'-P-C4' energy: -18.430
flat angles P-C4'-P energy: -10.565
tors. eta vs tors. theta energy: -16.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -182.552895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.552895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.552895 (E_RNA)
where:
Base-Base interactions energy: -117.672
where: short stacking energy: -57.813
Base-Backbone interact. energy: -1.596
local terms energy: -63.283975
where:
bonds (distance) C4'-P energy: -11.060
bonds (distance) P-C4' energy: -14.406
flat angles C4'-P-C4' energy: -15.844
flat angles P-C4'-P energy: -9.410
tors. eta vs tors. theta energy: -12.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -182.940685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.940685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.940685 (E_RNA)
where:
Base-Base interactions energy: -120.106
where: short stacking energy: -54.585
Base-Backbone interact. energy: -0.140
local terms energy: -62.694925
where:
bonds (distance) C4'-P energy: -11.105
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -13.037
flat angles P-C4'-P energy: -8.391
tors. eta vs tors. theta energy: -15.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -180.215245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.215245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.215245 (E_RNA)
where:
Base-Base interactions energy: -103.764
where: short stacking energy: -66.811
Base-Backbone interact. energy: -0.138
local terms energy: -76.313564
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -14.687
flat angles C4'-P-C4' energy: -17.056
flat angles P-C4'-P energy: -12.448
tors. eta vs tors. theta energy: -19.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -151.719542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.719542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.719542 (E_RNA)
where:
Base-Base interactions energy: -95.373
where: short stacking energy: -42.518
Base-Backbone interact. energy: -0.031
local terms energy: -56.316092
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -10.312
flat angles P-C4'-P energy: -5.110
tors. eta vs tors. theta energy: -8.738
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: 297
Temperature: 1.150000
Total energy: -115.570891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.570891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.570891 (E_RNA)
where:
Base-Base interactions energy: -61.917
where: short stacking energy: -41.498
Base-Backbone interact. energy: -0.009
local terms energy: -53.644787
where:
bonds (distance) C4'-P energy: -15.913
bonds (distance) P-C4' energy: -12.561
flat angles C4'-P-C4' energy: -9.199
flat angles P-C4'-P energy: -6.858
tors. eta vs tors. theta energy: -9.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -88.134892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.134892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.134892 (E_RNA)
where:
Base-Base interactions energy: -38.210
where: short stacking energy: -29.694
Base-Backbone interact. energy: -0.358
local terms energy: -49.567117
where:
bonds (distance) C4'-P energy: -11.550
bonds (distance) P-C4' energy: -16.756
flat angles C4'-P-C4' energy: -12.573
flat angles P-C4'-P energy: -8.127
tors. eta vs tors. theta energy: -0.561
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: 8, replica: 5
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -86.132573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.132573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.132573 (E_RNA)
where:
Base-Base interactions energy: -29.528
where: short stacking energy: -29.528
Base-Backbone interact. energy: -0.044
local terms energy: -56.560508
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -16.456
flat angles C4'-P-C4' energy: -10.464
flat angles P-C4'-P energy: -9.823
tors. eta vs tors. theta energy: -2.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -82.156375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.156375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.156375 (E_RNA)
where:
Base-Base interactions energy: -40.459
where: short stacking energy: -37.361
Base-Backbone interact. energy: 0.411
local terms energy: -42.108413
where:
bonds (distance) C4'-P energy: -12.856
bonds (distance) P-C4' energy: -10.445
flat angles C4'-P-C4' energy: -9.106
flat angles P-C4'-P energy: -8.599
tors. eta vs tors. theta energy: -1.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -78.721808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.721808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.721808 (E_RNA)
where:
Base-Base interactions energy: -30.270
where: short stacking energy: -30.270
Base-Backbone interact. energy: -0.019
local terms energy: -48.432915
where:
bonds (distance) C4'-P energy: -6.957
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -9.206
flat angles P-C4'-P energy: -7.191
tors. eta vs tors. theta energy: -8.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -214.704898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.704898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.704898 (E_RNA)
where:
Base-Base interactions energy: -142.126
where: short stacking energy: -67.759
Base-Backbone interact. energy: -0.027
local terms energy: -72.551648
where:
bonds (distance) C4'-P energy: -12.963
bonds (distance) P-C4' energy: -13.609
flat angles C4'-P-C4' energy: -17.620
flat angles P-C4'-P energy: -8.037
tors. eta vs tors. theta energy: -20.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -169.304912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.304912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.304912 (E_RNA)
where:
Base-Base interactions energy: -97.150
where: short stacking energy: -53.492
Base-Backbone interact. energy: -0.008
local terms energy: -72.146188
where:
bonds (distance) C4'-P energy: -14.677
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -16.516
flat angles P-C4'-P energy: -9.994
tors. eta vs tors. theta energy: -14.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -194.932087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.932087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.932087 (E_RNA)
where:
Base-Base interactions energy: -130.297
where: short stacking energy: -55.134
Base-Backbone interact. energy: -0.063
local terms energy: -64.572313
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -10.965
flat angles P-C4'-P energy: -10.291
tors. eta vs tors. theta energy: -14.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -142.475049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.475049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.475049 (E_RNA)
where:
Base-Base interactions energy: -80.346
where: short stacking energy: -39.704
Base-Backbone interact. energy: -0.965
local terms energy: -61.164187
where:
bonds (distance) C4'-P energy: -12.646
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -13.603
flat angles P-C4'-P energy: -9.056
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: 5, replica: 4
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -148.456283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.456283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.456283 (E_RNA)
where:
Base-Base interactions energy: -86.844
where: short stacking energy: -37.805
Base-Backbone interact. energy: -0.176
local terms energy: -61.436228
where:
bonds (distance) C4'-P energy: -11.558
bonds (distance) P-C4' energy: -17.424
flat angles C4'-P-C4' energy: -16.761
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: -6.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -99.407860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.407860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.407860 (E_RNA)
where:
Base-Base interactions energy: -51.316
where: short stacking energy: -36.445
Base-Backbone interact. energy: -1.331
local terms energy: -46.761132
where:
bonds (distance) C4'-P energy: -11.155
bonds (distance) P-C4' energy: -14.568
flat angles C4'-P-C4' energy: -15.775
flat angles P-C4'-P energy: -4.966
tors. eta vs tors. theta energy: -0.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -93.980047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.980047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.980047 (E_RNA)
where:
Base-Base interactions energy: -35.484
where: short stacking energy: -28.681
Base-Backbone interact. energy: -0.050
local terms energy: -58.445871
where:
bonds (distance) C4'-P energy: -15.771
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -14.011
flat angles P-C4'-P energy: -6.048
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: 8, replica: 6
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -90.965442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.965442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.965442 (E_RNA)
where:
Base-Base interactions energy: -41.086
where: short stacking energy: -33.174
Base-Backbone interact. energy: -0.200
local terms energy: -49.679482
where:
bonds (distance) C4'-P energy: -13.113
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -12.301
flat angles P-C4'-P energy: -6.217
tors. eta vs tors. theta energy: -3.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -87.828850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.828850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.828850 (E_RNA)
where:
Base-Base interactions energy: -34.423
where: short stacking energy: -33.614
Base-Backbone interact. energy: -0.186
local terms energy: -53.219052
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -12.557
flat angles C4'-P-C4' energy: -15.483
flat angles P-C4'-P energy: -7.364
tors. eta vs tors. theta energy: -5.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -78.055498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.055498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.055498 (E_RNA)
where:
Base-Base interactions energy: -32.541
where: short stacking energy: -32.336
Base-Backbone interact. energy: -0.186
local terms energy: -45.328685
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -13.825
flat angles C4'-P-C4' energy: -9.045
flat angles P-C4'-P energy: -7.586
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: 1, replica: 7
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -216.304298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.304298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.304298 (E_RNA)
where:
Base-Base interactions energy: -145.325
where: short stacking energy: -71.482
Base-Backbone interact. energy: -0.011
local terms energy: -70.968023
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -13.052
flat angles C4'-P-C4' energy: -15.898
flat angles P-C4'-P energy: -8.618
tors. eta vs tors. theta energy: -18.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -207.586400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.586400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.586400 (E_RNA)
where:
Base-Base interactions energy: -136.374
where: short stacking energy: -64.617
Base-Backbone interact. energy: -0.007
local terms energy: -71.205689
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -16.092
flat angles P-C4'-P energy: -10.992
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: 9
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -179.308396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.308396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.308396 (E_RNA)
where:
Base-Base interactions energy: -116.093
where: short stacking energy: -61.019
Base-Backbone interact. energy: -0.463
local terms energy: -62.752814
where:
bonds (distance) C4'-P energy: -11.160
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -11.848
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: 4, replica: 4
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -159.475069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.475069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.475069 (E_RNA)
where:
Base-Base interactions energy: -95.241
where: short stacking energy: -46.193
Base-Backbone interact. energy: 0.219
local terms energy: -64.453969
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -12.732
flat angles C4'-P-C4' energy: -16.684
flat angles P-C4'-P energy: -9.463
tors. eta vs tors. theta energy: -10.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -164.055142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.055142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.055142 (E_RNA)
where:
Base-Base interactions energy: -108.001
where: short stacking energy: -59.071
Base-Backbone interact. energy: -0.072
local terms energy: -55.982334
where:
bonds (distance) C4'-P energy: -6.638
bonds (distance) P-C4' energy: -11.438
flat angles C4'-P-C4' energy: -13.515
flat angles P-C4'-P energy: -7.217
tors. eta vs tors. theta energy: -17.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -96.551923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.551923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.551923 (E_RNA)
where:
Base-Base interactions energy: -41.081
where: short stacking energy: -37.355
Base-Backbone interact. energy: -0.034
local terms energy: -55.437107
where:
bonds (distance) C4'-P energy: -14.253
bonds (distance) P-C4' energy: -13.423
flat angles C4'-P-C4' energy: -12.978
flat angles P-C4'-P energy: -8.971
tors. eta vs tors. theta energy: -5.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -111.202048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.202048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.202048 (E_RNA)
where:
Base-Base interactions energy: -52.349
where: short stacking energy: -44.924
Base-Backbone interact. energy: -0.395
local terms energy: -58.458112
where:
bonds (distance) C4'-P energy: -10.588
bonds (distance) P-C4' energy: -15.675
flat angles C4'-P-C4' energy: -16.264
flat angles P-C4'-P energy: -8.863
tors. eta vs tors. theta energy: -7.067
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: 8
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -86.755775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.755775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.755775 (E_RNA)
where:
Base-Base interactions energy: -30.368
where: short stacking energy: -30.368
Base-Backbone interact. energy: -0.213
local terms energy: -56.174844
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -13.964
flat angles C4'-P-C4' energy: -13.503
flat angles P-C4'-P energy: -7.247
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: 9, replica: 6
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -103.737548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.737548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.737548 (E_RNA)
where:
Base-Base interactions energy: -45.452
where: short stacking energy: -45.452
Base-Backbone interact. energy: -0.020
local terms energy: -58.266449
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -12.421
flat angles P-C4'-P energy: -5.114
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: 10, replica: 1
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -89.549710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.549710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.549710 (E_RNA)
where:
Base-Base interactions energy: -42.929
where: short stacking energy: -38.084
Base-Backbone interact. energy: -0.035
local terms energy: -46.585475
where:
bonds (distance) C4'-P energy: -5.271
bonds (distance) P-C4' energy: -12.900
flat angles C4'-P-C4' energy: -15.889
flat angles P-C4'-P energy: -6.141
tors. eta vs tors. theta energy: -6.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -205.528182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.528182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.528182 (E_RNA)
where:
Base-Base interactions energy: -137.006
where: short stacking energy: -53.901
Base-Backbone interact. energy: -0.227
local terms energy: -68.294716
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -13.403
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -9.211
tors. eta vs tors. theta energy: -14.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -199.031591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.031591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.031591 (E_RNA)
where:
Base-Base interactions energy: -132.965
where: short stacking energy: -52.929
Base-Backbone interact. energy: -0.646
local terms energy: -65.420645
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -15.121
flat angles P-C4'-P energy: -9.152
tors. eta vs tors. theta energy: -9.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -166.927717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.927717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.927717 (E_RNA)
where:
Base-Base interactions energy: -98.056
where: short stacking energy: -56.216
Base-Backbone interact. energy: -0.907
local terms energy: -67.964094
where:
bonds (distance) C4'-P energy: -15.305
bonds (distance) P-C4' energy: -12.654
flat angles C4'-P-C4' energy: -15.751
flat angles P-C4'-P energy: -6.370
tors. eta vs tors. theta energy: -17.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -176.344137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.344137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.344137 (E_RNA)
where:
Base-Base interactions energy: -105.974
where: short stacking energy: -63.918
Base-Backbone interact. energy: -0.057
local terms energy: -70.312801
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -14.453
flat angles C4'-P-C4' energy: -16.283
flat angles P-C4'-P energy: -9.423
tors. eta vs tors. theta energy: -17.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -165.041305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.041305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.041305 (E_RNA)
where:
Base-Base interactions energy: -96.363
where: short stacking energy: -54.340
Base-Backbone interact. energy: -0.006
local terms energy: -68.671977
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -12.250
flat angles P-C4'-P energy: -11.878
tors. eta vs tors. theta energy: -14.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -100.272284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.272284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.272284 (E_RNA)
where:
Base-Base interactions energy: -43.141
where: short stacking energy: -43.141
Base-Backbone interact. energy: -0.006
local terms energy: -57.124626
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -9.759
flat angles P-C4'-P energy: -10.643
tors. eta vs tors. theta energy: -8.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -89.640233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.640233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.640233 (E_RNA)
where:
Base-Base interactions energy: -33.432
where: short stacking energy: -33.432
Base-Backbone interact. energy: -0.718
local terms energy: -55.490238
where:
bonds (distance) C4'-P energy: -12.980
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -10.778
flat angles P-C4'-P energy: -9.363
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: 300
Temperature: 1.250000
Total energy: -100.575134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.575134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.575134 (E_RNA)
where:
Base-Base interactions energy: -42.634
where: short stacking energy: -42.634
Base-Backbone interact. energy: -0.175
local terms energy: -57.765574
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -10.284
flat angles P-C4'-P energy: -7.073
tors. eta vs tors. theta energy: -10.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -88.234702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.234702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.234702 (E_RNA)
where:
Base-Base interactions energy: -38.193
where: short stacking energy: -24.221
Base-Backbone interact. energy: -0.401
local terms energy: -49.640804
where:
bonds (distance) C4'-P energy: -17.547
bonds (distance) P-C4' energy: -16.504
flat angles C4'-P-C4' energy: -11.045
flat angles P-C4'-P energy: -4.701
tors. eta vs tors. theta energy: 0.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -72.094304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.094304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.094304 (E_RNA)
where:
Base-Base interactions energy: -28.068
where: short stacking energy: -26.939
Base-Backbone interact. energy: -1.008
local terms energy: -43.017631
where:
bonds (distance) C4'-P energy: -12.796
bonds (distance) P-C4' energy: -14.283
flat angles C4'-P-C4' energy: -9.323
flat angles P-C4'-P energy: -4.614
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: 7
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -200.852771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.852771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.852771 (E_RNA)
where:
Base-Base interactions energy: -138.541
where: short stacking energy: -61.469
Base-Backbone interact. energy: 1.093
local terms energy: -63.404159
where:
bonds (distance) C4'-P energy: -10.417
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -9.826
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -15.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -201.566569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.566569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.566569 (E_RNA)
where:
Base-Base interactions energy: -139.327
where: short stacking energy: -41.057
Base-Backbone interact. energy: -1.382
local terms energy: -60.857715
where:
bonds (distance) C4'-P energy: -13.679
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -12.309
flat angles P-C4'-P energy: -11.941
tors. eta vs tors. theta energy: -8.744
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: 9
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -204.248886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.248886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.248886 (E_RNA)
where:
Base-Base interactions energy: -137.549
where: short stacking energy: -62.181
Base-Backbone interact. energy: -0.229
local terms energy: -66.471310
where:
bonds (distance) C4'-P energy: -9.805
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -13.369
flat angles P-C4'-P energy: -11.977
tors. eta vs tors. theta energy: -16.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -172.606325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.606325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.606325 (E_RNA)
where:
Base-Base interactions energy: -95.354
where: short stacking energy: -57.824
Base-Backbone interact. energy: -0.002
local terms energy: -77.250555
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -13.138
flat angles P-C4'-P energy: -11.410
tors. eta vs tors. theta energy: -20.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -173.621349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.621349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.621349 (E_RNA)
where:
Base-Base interactions energy: -101.390
where: short stacking energy: -53.723
Base-Backbone interact. energy: 0.281
local terms energy: -72.512001
where:
bonds (distance) C4'-P energy: -14.037
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -14.262
flat angles P-C4'-P energy: -12.126
tors. eta vs tors. theta energy: -15.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -96.648658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.648658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.648658 (E_RNA)
where:
Base-Base interactions energy: -42.840
where: short stacking energy: -38.220
Base-Backbone interact. energy: -0.168
local terms energy: -53.640452
where:
bonds (distance) C4'-P energy: -14.486
bonds (distance) P-C4' energy: -13.082
flat angles C4'-P-C4' energy: -7.119
flat angles P-C4'-P energy: -8.889
tors. eta vs tors. theta energy: -10.065
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: 7, replica: 5
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -100.960149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.960149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.960149 (E_RNA)
where:
Base-Base interactions energy: -40.340
where: short stacking energy: -35.816
Base-Backbone interact. energy: 0.505
local terms energy: -61.124524
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -17.049
flat angles C4'-P-C4' energy: -12.677
flat angles P-C4'-P energy: -9.536
tors. eta vs tors. theta energy: -6.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -95.475876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.475876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.475876 (E_RNA)
where:
Base-Base interactions energy: -43.930
where: short stacking energy: -21.144
Base-Backbone interact. energy: -0.209
local terms energy: -51.337114
where:
bonds (distance) C4'-P energy: -15.424
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -12.973
flat angles P-C4'-P energy: -9.384
tors. eta vs tors. theta energy: -0.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -84.533452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.533452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.533452 (E_RNA)
where:
Base-Base interactions energy: -29.325
where: short stacking energy: -27.816
Base-Backbone interact. energy: -0.057
local terms energy: -55.151470
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -10.971
flat angles P-C4'-P energy: -6.558
tors. eta vs tors. theta energy: -7.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -72.581516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.581516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.581516 (E_RNA)
where:
Base-Base interactions energy: -18.038
where: short stacking energy: -14.315
Base-Backbone interact. energy: -1.222
local terms energy: -53.321627
where:
bonds (distance) C4'-P energy: -14.176
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -12.979
flat angles P-C4'-P energy: -9.205
tors. eta vs tors. theta energy: 1.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -195.225167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.225167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.225167 (E_RNA)
where:
Base-Base interactions energy: -127.272
where: short stacking energy: -60.081
Base-Backbone interact. energy: -0.413
local terms energy: -67.539763
where:
bonds (distance) C4'-P energy: -16.106
bonds (distance) P-C4' energy: -12.359
flat angles C4'-P-C4' energy: -16.448
flat angles P-C4'-P energy: -9.487
tors. eta vs tors. theta energy: -13.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -201.429628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.429628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.429628 (E_RNA)
where:
Base-Base interactions energy: -139.276
where: short stacking energy: -59.324
Base-Backbone interact. energy: -0.008
local terms energy: -62.146220
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -13.627
flat angles C4'-P-C4' energy: -12.763
flat angles P-C4'-P energy: -6.763
tors. eta vs tors. theta energy: -14.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -167.641578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.641578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.641578 (E_RNA)
where:
Base-Base interactions energy: -99.878
where: short stacking energy: -58.550
Base-Backbone interact. energy: -0.410
local terms energy: -67.353662
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -11.426
flat angles P-C4'-P energy: -11.239
tors. eta vs tors. theta energy: -13.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -203.303978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.303978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.303978 (E_RNA)
where:
Base-Base interactions energy: -128.304
where: short stacking energy: -57.661
Base-Backbone interact. energy: 1.448
local terms energy: -76.448759
where:
bonds (distance) C4'-P energy: -13.918
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -17.550
flat angles P-C4'-P energy: -9.324
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: 5, replica: 4
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -160.537953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.537953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.537953 (E_RNA)
where:
Base-Base interactions energy: -94.166
where: short stacking energy: -49.380
Base-Backbone interact. energy: -0.162
local terms energy: -66.209895
where:
bonds (distance) C4'-P energy: -13.450
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -12.169
flat angles P-C4'-P energy: -12.351
tors. eta vs tors. theta energy: -11.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -106.854689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.854689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.854689 (E_RNA)
where:
Base-Base interactions energy: -54.996
where: short stacking energy: -32.286
Base-Backbone interact. energy: -0.587
local terms energy: -51.271987
where:
bonds (distance) C4'-P energy: -11.553
bonds (distance) P-C4' energy: -16.323
flat angles C4'-P-C4' energy: -15.916
flat angles P-C4'-P energy: -5.196
tors. eta vs tors. theta energy: -2.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -108.953626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.953626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.953626 (E_RNA)
where:
Base-Base interactions energy: -54.137
where: short stacking energy: -48.110
Base-Backbone interact. energy: -0.066
local terms energy: -54.750496
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -15.051
flat angles C4'-P-C4' energy: -8.320
flat angles P-C4'-P energy: -9.882
tors. eta vs tors. theta energy: -8.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -98.787475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.787475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.787475 (E_RNA)
where:
Base-Base interactions energy: -44.163
where: short stacking energy: -40.117
Base-Backbone interact. energy: -0.216
local terms energy: -54.408454
where:
bonds (distance) C4'-P energy: -9.288
bonds (distance) P-C4' energy: -13.829
flat angles C4'-P-C4' energy: -10.330
flat angles P-C4'-P energy: -9.991
tors. eta vs tors. theta energy: -10.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -87.542881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.542881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.542881 (E_RNA)
where:
Base-Base interactions energy: -29.092
where: short stacking energy: -28.839
Base-Backbone interact. energy: -0.010
local terms energy: -58.440951
where:
bonds (distance) C4'-P energy: -11.258
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -12.203
flat angles P-C4'-P energy: -10.393
tors. eta vs tors. theta energy: -9.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -74.411125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.411125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.411125 (E_RNA)
where:
Base-Base interactions energy: -23.648
where: short stacking energy: -21.925
Base-Backbone interact. energy: 3.177
local terms energy: -53.939631
where:
bonds (distance) C4'-P energy: -6.866
bonds (distance) P-C4' energy: -18.025
flat angles C4'-P-C4' energy: -15.471
flat angles P-C4'-P energy: -6.750
tors. eta vs tors. theta energy: -6.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -204.212109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.212109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.212109 (E_RNA)
where:
Base-Base interactions energy: -142.321
where: short stacking energy: -65.198
Base-Backbone interact. energy: -0.086
local terms energy: -61.804930
where:
bonds (distance) C4'-P energy: -10.458
bonds (distance) P-C4' energy: -13.064
flat angles C4'-P-C4' energy: -12.786
flat angles P-C4'-P energy: -10.363
tors. eta vs tors. theta energy: -15.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -192.567099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.567099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.567099 (E_RNA)
where:
Base-Base interactions energy: -129.962
where: short stacking energy: -57.867
Base-Backbone interact. energy: -0.823
local terms energy: -61.782258
where:
bonds (distance) C4'-P energy: -14.686
bonds (distance) P-C4' energy: -12.529
flat angles C4'-P-C4' energy: -14.695
flat angles P-C4'-P energy: -7.226
tors. eta vs tors. theta energy: -12.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -172.780403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.780403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.780403 (E_RNA)
where:
Base-Base interactions energy: -97.771
where: short stacking energy: -55.767
Base-Backbone interact. energy: -1.351
local terms energy: -73.658405
where:
bonds (distance) C4'-P energy: -14.164
bonds (distance) P-C4' energy: -16.381
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -15.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -182.304105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.304105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.304105 (E_RNA)
where:
Base-Base interactions energy: -114.577
where: short stacking energy: -61.792
Base-Backbone interact. energy: -0.098
local terms energy: -67.628835
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -15.331
flat angles C4'-P-C4' energy: -11.733
flat angles P-C4'-P energy: -12.005
tors. eta vs tors. theta energy: -14.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -169.874348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.874348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.874348 (E_RNA)
where:
Base-Base interactions energy: -100.380
where: short stacking energy: -52.206
Base-Backbone interact. energy: -0.602
local terms energy: -68.892389
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -14.727
flat angles P-C4'-P energy: -8.565
tors. eta vs tors. theta energy: -13.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -139.206084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.206084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.206084 (E_RNA)
where:
Base-Base interactions energy: -76.278
where: short stacking energy: -45.096
Base-Backbone interact. energy: -0.054
local terms energy: -62.874016
where:
bonds (distance) C4'-P energy: -17.232
bonds (distance) P-C4' energy: -12.658
flat angles C4'-P-C4' energy: -13.059
flat angles P-C4'-P energy: -7.696
tors. eta vs tors. theta energy: -12.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -102.286562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.286562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.286562 (E_RNA)
where:
Base-Base interactions energy: -49.359
where: short stacking energy: -28.762
Base-Backbone interact. energy: 1.367
local terms energy: -54.293829
where:
bonds (distance) C4'-P energy: -15.534
bonds (distance) P-C4' energy: -11.284
flat angles C4'-P-C4' energy: -13.726
flat angles P-C4'-P energy: -10.496
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: 8, replica: 6
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -84.144591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.144591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.144591 (E_RNA)
where:
Base-Base interactions energy: -34.588
where: short stacking energy: -29.998
Base-Backbone interact. energy: 1.513
local terms energy: -51.069373
where:
bonds (distance) C4'-P energy: -13.888
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -9.620
flat angles P-C4'-P energy: -7.057
tors. eta vs tors. theta energy: -4.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -88.309347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.309347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.309347 (E_RNA)
where:
Base-Base interactions energy: -34.968
where: short stacking energy: -22.770
Base-Backbone interact. energy: 0.770
local terms energy: -54.110753
where:
bonds (distance) C4'-P energy: -14.203
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -12.586
flat angles P-C4'-P energy: -6.231
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: 10, replica: 10
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -78.077656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.077656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.077656 (E_RNA)
where:
Base-Base interactions energy: -25.717
where: short stacking energy: -25.717
Base-Backbone interact. energy: -0.315
local terms energy: -52.045756
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -5.667
tors. eta vs tors. theta energy: -1.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -203.659443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.659443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.659443 (E_RNA)
where:
Base-Base interactions energy: -136.343
where: short stacking energy: -63.227
Base-Backbone interact. energy: -0.364
local terms energy: -66.952237
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -10.582
flat angles P-C4'-P energy: -10.192
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: 2, replica: 7
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -191.784275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.784275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.784275 (E_RNA)
where:
Base-Base interactions energy: -122.758
where: short stacking energy: -59.070
Base-Backbone interact. energy: -0.004
local terms energy: -69.022529
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -13.869
flat angles C4'-P-C4' energy: -13.358
flat angles P-C4'-P energy: -12.784
tors. eta vs tors. theta energy: -15.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -151.811439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.811439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.811439 (E_RNA)
where:
Base-Base interactions energy: -95.163
where: short stacking energy: -48.691
Base-Backbone interact. energy: -0.159
local terms energy: -56.489500
where:
bonds (distance) C4'-P energy: -8.554
bonds (distance) P-C4' energy: -14.321
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -10.082
tors. eta vs tors. theta energy: -9.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -169.952392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.952392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.952392 (E_RNA)
where:
Base-Base interactions energy: -102.094
where: short stacking energy: -51.628
Base-Backbone interact. energy: -0.140
local terms energy: -67.718759
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -16.125
flat angles P-C4'-P energy: -7.901
tors. eta vs tors. theta energy: -15.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -170.474753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.474753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.474753 (E_RNA)
where:
Base-Base interactions energy: -101.756
where: short stacking energy: -49.364
Base-Backbone interact. energy: -0.246
local terms energy: -68.473258
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -12.317
flat angles P-C4'-P energy: -8.769
tors. eta vs tors. theta energy: -18.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -167.064493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.064493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.064493 (E_RNA)
where:
Base-Base interactions energy: -100.089
where: short stacking energy: -58.164
Base-Backbone interact. energy: -0.090
local terms energy: -66.886153
where:
bonds (distance) C4'-P energy: -16.856
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -13.886
flat angles P-C4'-P energy: -9.599
tors. eta vs tors. theta energy: -11.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -137.187011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.187011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.187011 (E_RNA)
where:
Base-Base interactions energy: -83.350
where: short stacking energy: -40.720
Base-Backbone interact. energy: -0.133
local terms energy: -53.703829
where:
bonds (distance) C4'-P energy: -10.691
bonds (distance) P-C4' energy: -12.766
flat angles C4'-P-C4' energy: -15.411
flat angles P-C4'-P energy: -9.058
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: 8, replica: 6
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -94.809043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.809043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.809043 (E_RNA)
where:
Base-Base interactions energy: -38.842
where: short stacking energy: -37.146
Base-Backbone interact. energy: -0.047
local terms energy: -55.920160
where:
bonds (distance) C4'-P energy: -10.940
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -12.083
flat angles P-C4'-P energy: -7.494
tors. eta vs tors. theta energy: -10.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -86.158174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.158174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.158174 (E_RNA)
where:
Base-Base interactions energy: -45.467
where: short stacking energy: -38.402
Base-Backbone interact. energy: -0.092
local terms energy: -40.599445
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -2.776
flat angles C4'-P-C4' energy: -12.980
flat angles P-C4'-P energy: -4.591
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: 10, replica: 5
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -75.486399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.486399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.486399 (E_RNA)
where:
Base-Base interactions energy: -39.040
where: short stacking energy: -27.504
Base-Backbone interact. energy: -0.063
local terms energy: -36.383417
where:
bonds (distance) C4'-P energy: -7.967
bonds (distance) P-C4' energy: -12.555
flat angles C4'-P-C4' energy: -10.364
flat angles P-C4'-P energy: -6.784
tors. eta vs tors. theta energy: 1.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -188.444061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.444061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.444061 (E_RNA)
where:
Base-Base interactions energy: -116.415
where: short stacking energy: -57.647
Base-Backbone interact. energy: -0.009
local terms energy: -72.019811
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -12.143
flat angles P-C4'-P energy: -11.198
tors. eta vs tors. theta energy: -17.463
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: 305
Temperature: 0.950000
Total energy: -161.467886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.467886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.467886 (E_RNA)
where:
Base-Base interactions energy: -93.271
where: short stacking energy: -53.782
Base-Backbone interact. energy: -0.004
local terms energy: -68.193179
where:
bonds (distance) C4'-P energy: -12.023
bonds (distance) P-C4' energy: -16.085
flat angles C4'-P-C4' energy: -14.863
flat angles P-C4'-P energy: -12.840
tors. eta vs tors. theta energy: -12.381
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: 7
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -176.912939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.912939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.912939 (E_RNA)
where:
Base-Base interactions energy: -108.986
where: short stacking energy: -47.793
Base-Backbone interact. energy: -0.075
local terms energy: -67.851955
where:
bonds (distance) C4'-P energy: -18.288
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -14.702
flat angles P-C4'-P energy: -4.949
tors. eta vs tors. theta energy: -13.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -182.770876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.770876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.770876 (E_RNA)
where:
Base-Base interactions energy: -106.872
where: short stacking energy: -70.743
Base-Backbone interact. energy: -0.042
local terms energy: -75.856966
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -10.874
flat angles C4'-P-C4' energy: -16.739
flat angles P-C4'-P energy: -12.875
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: 5, replica: 3
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -164.598660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.598660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.598660 (E_RNA)
where:
Base-Base interactions energy: -95.284
where: short stacking energy: -55.290
Base-Backbone interact. energy: -0.038
local terms energy: -69.276450
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -15.682
flat angles P-C4'-P energy: -9.658
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: 6, replica: 4
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -144.378556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.378556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.378556 (E_RNA)
where:
Base-Base interactions energy: -89.239
where: short stacking energy: -44.822
Base-Backbone interact. energy: -0.030
local terms energy: -55.109510
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -9.598
flat angles C4'-P-C4' energy: -12.330
flat angles P-C4'-P energy: -8.420
tors. eta vs tors. theta energy: -12.447
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: 8
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -89.036359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.036359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.036359 (E_RNA)
where:
Base-Base interactions energy: -39.698
where: short stacking energy: -37.614
Base-Backbone interact. energy: 3.550
local terms energy: -52.888473
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -15.104
flat angles C4'-P-C4' energy: -13.012
flat angles P-C4'-P energy: -3.772
tors. eta vs tors. theta energy: -6.380
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: 305
Temperature: 1.250000
Total energy: -83.572375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.572375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.572375 (E_RNA)
where:
Base-Base interactions energy: -36.566
where: short stacking energy: -34.823
Base-Backbone interact. energy: -0.552
local terms energy: -46.454523
where:
bonds (distance) C4'-P energy: -10.013
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -6.153
flat angles P-C4'-P energy: -11.670
tors. eta vs tors. theta energy: -4.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -77.323681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.323681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.323681 (E_RNA)
where:
Base-Base interactions energy: -28.293
where: short stacking energy: -26.477
Base-Backbone interact. energy: 0.706
local terms energy: -49.736509
where:
bonds (distance) C4'-P energy: -15.876
bonds (distance) P-C4' energy: -12.632
flat angles C4'-P-C4' energy: -13.322
flat angles P-C4'-P energy: -4.516
tors. eta vs tors. theta energy: -3.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -83.921936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.921936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.921936 (E_RNA)
where:
Base-Base interactions energy: -36.144
where: short stacking energy: -35.539
Base-Backbone interact. energy: -0.000
local terms energy: -47.778128
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -14.108
flat angles C4'-P-C4' energy: -11.609
flat angles P-C4'-P energy: -3.462
tors. eta vs tors. theta energy: -4.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -212.610662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.610662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.610662 (E_RNA)
where:
Base-Base interactions energy: -140.015
where: short stacking energy: -58.937
Base-Backbone interact. energy: -0.006
local terms energy: -72.589201
where:
bonds (distance) C4'-P energy: -15.799
bonds (distance) P-C4' energy: -14.259
flat angles C4'-P-C4' energy: -12.066
flat angles P-C4'-P energy: -10.196
tors. eta vs tors. theta energy: -20.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -171.172775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.172775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.172775 (E_RNA)
where:
Base-Base interactions energy: -97.047
where: short stacking energy: -68.789
Base-Backbone interact. energy: -0.804
local terms energy: -73.321411
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -16.149
flat angles P-C4'-P energy: -9.865
tors. eta vs tors. theta energy: -16.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -171.998136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.998136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.998136 (E_RNA)
where:
Base-Base interactions energy: -103.724
where: short stacking energy: -62.668
Base-Backbone interact. energy: 1.797
local terms energy: -70.070876
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -17.534
flat angles P-C4'-P energy: -12.402
tors. eta vs tors. theta energy: -11.946
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: 7
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -168.143859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.143859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.143859 (E_RNA)
where:
Base-Base interactions energy: -114.855
where: short stacking energy: -42.337
Base-Backbone interact. energy: 0.071
local terms energy: -53.359738
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -10.179
flat angles P-C4'-P energy: -5.418
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: 5, replica: 3
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -173.659904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.659904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.659904 (E_RNA)
where:
Base-Base interactions energy: -102.833
where: short stacking energy: -66.723
Base-Backbone interact. energy: -0.278
local terms energy: -70.549032
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -16.750
flat angles C4'-P-C4' energy: -15.282
flat angles P-C4'-P energy: -9.302
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: 4
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -151.037811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.037811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.037811 (E_RNA)
where:
Base-Base interactions energy: -87.060
where: short stacking energy: -48.432
Base-Backbone interact. energy: -0.325
local terms energy: -63.652608
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -13.124
flat angles P-C4'-P energy: -12.840
tors. eta vs tors. theta energy: -6.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -91.334404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.334404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.334404 (E_RNA)
where:
Base-Base interactions energy: -38.080
where: short stacking energy: -34.969
Base-Backbone interact. energy: -0.120
local terms energy: -53.134383
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -9.870
flat angles C4'-P-C4' energy: -13.012
flat angles P-C4'-P energy: -8.116
tors. eta vs tors. theta energy: -7.739
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: 8, replica: 8
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -89.211701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.211701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.211701 (E_RNA)
where:
Base-Base interactions energy: -35.019
where: short stacking energy: -18.693
Base-Backbone interact. energy: -0.139
local terms energy: -54.053878
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -13.685
flat angles C4'-P-C4' energy: -12.024
flat angles P-C4'-P energy: -10.660
tors. eta vs tors. theta energy: -3.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -97.705864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.705864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.705864 (E_RNA)
where:
Base-Base interactions energy: -49.614
where: short stacking energy: -31.171
Base-Backbone interact. energy: -0.129
local terms energy: -47.962729
where:
bonds (distance) C4'-P energy: -10.529
bonds (distance) P-C4' energy: -14.110
flat angles C4'-P-C4' energy: -16.376
flat angles P-C4'-P energy: -5.334
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: 6
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -75.920194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.920194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.920194 (E_RNA)
where:
Base-Base interactions energy: -38.629
where: short stacking energy: -33.868
Base-Backbone interact. energy: -0.161
local terms energy: -37.130558
where:
bonds (distance) C4'-P energy: -11.749
bonds (distance) P-C4' energy: -12.774
flat angles C4'-P-C4' energy: -12.578
flat angles P-C4'-P energy: 3.207
tors. eta vs tors. theta energy: -3.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -208.882776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.882776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.882776 (E_RNA)
where:
Base-Base interactions energy: -137.611
where: short stacking energy: -59.942
Base-Backbone interact. energy: -0.003
local terms energy: -71.268903
where:
bonds (distance) C4'-P energy: -13.607
bonds (distance) P-C4' energy: -14.780
flat angles C4'-P-C4' energy: -14.836
flat angles P-C4'-P energy: -13.984
tors. eta vs tors. theta energy: -14.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -177.836109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.836109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.836109 (E_RNA)
where:
Base-Base interactions energy: -102.804
where: short stacking energy: -58.155
Base-Backbone interact. energy: -1.032
local terms energy: -74.000057
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -17.156
flat angles C4'-P-C4' energy: -17.131
flat angles P-C4'-P energy: -9.099
tors. eta vs tors. theta energy: -15.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -177.273083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.273083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.273083 (E_RNA)
where:
Base-Base interactions energy: -113.102
where: short stacking energy: -55.114
Base-Backbone interact. energy: -1.458
local terms energy: -62.713475
where:
bonds (distance) C4'-P energy: -14.373
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -8.432
flat angles P-C4'-P energy: -10.072
tors. eta vs tors. theta energy: -13.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -161.987500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.987500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.987500 (E_RNA)
where:
Base-Base interactions energy: -103.021
where: short stacking energy: -47.404
Base-Backbone interact. energy: -0.037
local terms energy: -58.928652
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -10.024
flat angles C4'-P-C4' energy: -10.319
flat angles P-C4'-P energy: -9.213
tors. eta vs tors. theta energy: -14.638
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: 3
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -157.618530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.618530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.618530 (E_RNA)
where:
Base-Base interactions energy: -96.026
where: short stacking energy: -62.291
Base-Backbone interact. energy: -0.226
local terms energy: -61.366945
where:
bonds (distance) C4'-P energy: -11.513
bonds (distance) P-C4' energy: -12.566
flat angles C4'-P-C4' energy: -11.704
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: -17.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -152.050390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.050390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.050390 (E_RNA)
where:
Base-Base interactions energy: -97.992
where: short stacking energy: -49.991
Base-Backbone interact. energy: 0.262
local terms energy: -54.320767
where:
bonds (distance) C4'-P energy: -9.644
bonds (distance) P-C4' energy: -12.689
flat angles C4'-P-C4' energy: -14.022
flat angles P-C4'-P energy: -1.686
tors. eta vs tors. theta energy: -16.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -89.913564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.913564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.913564 (E_RNA)
where:
Base-Base interactions energy: -38.036
where: short stacking energy: -38.036
Base-Backbone interact. energy: -0.054
local terms energy: -51.823989
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -8.994
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -4.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -99.007046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.007046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.007046 (E_RNA)
where:
Base-Base interactions energy: -49.723
where: short stacking energy: -36.392
Base-Backbone interact. energy: -0.271
local terms energy: -49.012234
where:
bonds (distance) C4'-P energy: -10.881
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -14.294
flat angles P-C4'-P energy: -4.946
tors. eta vs tors. theta energy: -6.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -85.177649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.177649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.177649 (E_RNA)
where:
Base-Base interactions energy: -38.587
where: short stacking energy: -27.427
Base-Backbone interact. energy: -0.162
local terms energy: -46.428877
where:
bonds (distance) C4'-P energy: -11.317
bonds (distance) P-C4' energy: -11.343
flat angles C4'-P-C4' energy: -15.747
flat angles P-C4'-P energy: -6.594
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)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -76.730064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.730064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.730064 (E_RNA)
where:
Base-Base interactions energy: -26.603
where: short stacking energy: -22.091
Base-Backbone interact. energy: -0.155
local terms energy: -49.971520
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -11.929
flat angles C4'-P-C4' energy: -16.902
flat angles P-C4'-P energy: -9.001
tors. eta vs tors. theta energy: 1.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -208.749021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.749021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.749021 (E_RNA)
where:
Base-Base interactions energy: -138.246
where: short stacking energy: -62.452
Base-Backbone interact. energy: -0.099
local terms energy: -70.403189
where:
bonds (distance) C4'-P energy: -13.718
bonds (distance) P-C4' energy: -14.891
flat angles C4'-P-C4' energy: -11.615
flat angles P-C4'-P energy: -11.862
tors. eta vs tors. theta energy: -18.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -179.329155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.329155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.329155 (E_RNA)
where:
Base-Base interactions energy: -113.473
where: short stacking energy: -60.283
Base-Backbone interact. energy: -0.081
local terms energy: -65.774712
where:
bonds (distance) C4'-P energy: -8.456
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -13.117
flat angles P-C4'-P energy: -8.258
tors. eta vs tors. theta energy: -17.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -172.208857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.208857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.208857 (E_RNA)
where:
Base-Base interactions energy: -102.912
where: short stacking energy: -54.808
Base-Backbone interact. energy: -0.588
local terms energy: -68.709145
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -13.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -173.276759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.276759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.276759 (E_RNA)
where:
Base-Base interactions energy: -103.373
where: short stacking energy: -54.352
Base-Backbone interact. energy: -1.419
local terms energy: -68.484232
where:
bonds (distance) C4'-P energy: -16.286
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -14.471
flat angles P-C4'-P energy: -11.157
tors. eta vs tors. theta energy: -10.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -171.341550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.341550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.341550 (E_RNA)
where:
Base-Base interactions energy: -105.500
where: short stacking energy: -45.735
Base-Backbone interact. energy: -0.069
local terms energy: -65.773000
where:
bonds (distance) C4'-P energy: -17.112
bonds (distance) P-C4' energy: -14.658
flat angles C4'-P-C4' energy: -12.858
flat angles P-C4'-P energy: -6.547
tors. eta vs tors. theta energy: -14.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -157.560427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.560427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.560427 (E_RNA)
where:
Base-Base interactions energy: -89.971
where: short stacking energy: -59.962
Base-Backbone interact. energy: -0.011
local terms energy: -67.578152
where:
bonds (distance) C4'-P energy: -16.132
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -10.582
flat angles P-C4'-P energy: -7.950
tors. eta vs tors. theta energy: -18.756
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: 5
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -85.615922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.615922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.615922 (E_RNA)
where:
Base-Base interactions energy: -44.340
where: short stacking energy: -18.959
Base-Backbone interact. energy: -0.393
local terms energy: -40.883402
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -16.090
flat angles C4'-P-C4' energy: -8.068
flat angles P-C4'-P energy: -7.628
tors. eta vs tors. theta energy: 5.702
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: 10
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -88.451543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.451543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.451543 (E_RNA)
where:
Base-Base interactions energy: -45.680
where: short stacking energy: -33.524
Base-Backbone interact. energy: 3.873
local terms energy: -46.644444
where:
bonds (distance) C4'-P energy: -11.574
bonds (distance) P-C4' energy: -12.350
flat angles C4'-P-C4' energy: -11.246
flat angles P-C4'-P energy: -5.714
tors. eta vs tors. theta energy: -5.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -79.025566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.025566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.025566 (E_RNA)
where:
Base-Base interactions energy: -33.614
where: short stacking energy: -32.581
Base-Backbone interact. energy: 0.301
local terms energy: -45.713394
where:
bonds (distance) C4'-P energy: -10.508
bonds (distance) P-C4' energy: -11.427
flat angles C4'-P-C4' energy: -11.130
flat angles P-C4'-P energy: -9.341
tors. eta vs tors. theta energy: -3.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -89.562901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.562901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.562901 (E_RNA)
where:
Base-Base interactions energy: -44.730
where: short stacking energy: -20.081
Base-Backbone interact. energy: 0.067
local terms energy: -44.899284
where:
bonds (distance) C4'-P energy: -11.992
bonds (distance) P-C4' energy: -15.846
flat angles C4'-P-C4' energy: -0.538
flat angles P-C4'-P energy: -11.130
tors. eta vs tors. theta energy: -5.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -201.677572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.677572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.677572 (E_RNA)
where:
Base-Base interactions energy: -133.487
where: short stacking energy: -67.108
Base-Backbone interact. energy: -0.032
local terms energy: -68.159395
where:
bonds (distance) C4'-P energy: -12.044
bonds (distance) P-C4' energy: -14.617
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -9.978
tors. eta vs tors. theta energy: -16.602
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: 7
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -198.415503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.415503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.415503 (E_RNA)
where:
Base-Base interactions energy: -135.081
where: short stacking energy: -52.241
Base-Backbone interact. energy: -0.158
local terms energy: -63.176923
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -15.203
flat angles C4'-P-C4' energy: -14.619
flat angles P-C4'-P energy: -7.414
tors. eta vs tors. theta energy: -10.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -208.573586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.573586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.573586 (E_RNA)
where:
Base-Base interactions energy: -129.388
where: short stacking energy: -74.017
Base-Backbone interact. energy: -0.000
local terms energy: -79.184840
where:
bonds (distance) C4'-P energy: -13.583
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -17.067
flat angles P-C4'-P energy: -11.658
tors. eta vs tors. theta energy: -19.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -171.224675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.224675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.224675 (E_RNA)
where:
Base-Base interactions energy: -103.625
where: short stacking energy: -45.575
Base-Backbone interact. energy: -0.029
local terms energy: -67.570552
where:
bonds (distance) C4'-P energy: -10.646
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -16.441
flat angles P-C4'-P energy: -12.500
tors. eta vs tors. theta energy: -12.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -174.177913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.177913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.177913 (E_RNA)
where:
Base-Base interactions energy: -102.647
where: short stacking energy: -54.961
Base-Backbone interact. energy: -2.950
local terms energy: -68.580408
where:
bonds (distance) C4'-P energy: -15.953
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -12.478
flat angles P-C4'-P energy: -10.332
tors. eta vs tors. theta energy: -13.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -164.717786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.717786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.717786 (E_RNA)
where:
Base-Base interactions energy: -102.933
where: short stacking energy: -55.251
Base-Backbone interact. energy: -0.351
local terms energy: -61.433970
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -11.142
flat angles P-C4'-P energy: -7.902
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: 7, replica: 5
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -99.971612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.971612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.971612 (E_RNA)
where:
Base-Base interactions energy: -46.259
where: short stacking energy: -38.082
Base-Backbone interact. energy: -0.001
local terms energy: -53.711404
where:
bonds (distance) C4'-P energy: -13.629
bonds (distance) P-C4' energy: -13.273
flat angles C4'-P-C4' energy: -13.351
flat angles P-C4'-P energy: -6.537
tors. eta vs tors. theta energy: -6.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -81.151528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.151528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.151528 (E_RNA)
where:
Base-Base interactions energy: -28.498
where: short stacking energy: -27.440
Base-Backbone interact. energy: -0.300
local terms energy: -52.353835
where:
bonds (distance) C4'-P energy: -17.451
bonds (distance) P-C4' energy: -8.149
flat angles C4'-P-C4' energy: -15.212
flat angles P-C4'-P energy: -10.346
tors. eta vs tors. theta energy: -1.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -80.168556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.168556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.168556 (E_RNA)
where:
Base-Base interactions energy: -28.278
where: short stacking energy: -28.278
Base-Backbone interact. energy: -0.000
local terms energy: -51.890160
where:
bonds (distance) C4'-P energy: -10.571
bonds (distance) P-C4' energy: -13.954
flat angles C4'-P-C4' energy: -11.770
flat angles P-C4'-P energy: -9.105
tors. eta vs tors. theta energy: -6.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -82.778686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.778686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.778686 (E_RNA)
where:
Base-Base interactions energy: -33.849
where: short stacking energy: -31.605
Base-Backbone interact. energy: -0.550
local terms energy: -48.380205
where:
bonds (distance) C4'-P energy: -10.306
bonds (distance) P-C4' energy: -10.568
flat angles C4'-P-C4' energy: -11.403
flat angles P-C4'-P energy: -12.029
tors. eta vs tors. theta energy: -4.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -201.942027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.942027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.942027 (E_RNA)
where:
Base-Base interactions energy: -130.980
where: short stacking energy: -61.870
Base-Backbone interact. energy: 0.096
local terms energy: -71.057393
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -16.527
flat angles C4'-P-C4' energy: -13.055
flat angles P-C4'-P energy: -8.450
tors. eta vs tors. theta energy: -16.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -178.165923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.165923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.165923 (E_RNA)
where:
Base-Base interactions energy: -110.574
where: short stacking energy: -56.626
Base-Backbone interact. energy: -0.040
local terms energy: -67.551833
where:
bonds (distance) C4'-P energy: -13.728
bonds (distance) P-C4' energy: -12.988
flat angles C4'-P-C4' energy: -17.521
flat angles P-C4'-P energy: -9.566
tors. eta vs tors. theta energy: -13.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -204.208804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.208804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.208804 (E_RNA)
where:
Base-Base interactions energy: -127.862
where: short stacking energy: -59.792
Base-Backbone interact. energy: -0.022
local terms energy: -76.324433
where:
bonds (distance) C4'-P energy: -15.116
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -11.455
tors. eta vs tors. theta energy: -21.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -178.787423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.787423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.787423 (E_RNA)
where:
Base-Base interactions energy: -109.504
where: short stacking energy: -69.930
Base-Backbone interact. energy: -0.100
local terms energy: -69.184182
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -13.769
flat angles C4'-P-C4' energy: -13.658
flat angles P-C4'-P energy: -8.248
tors. eta vs tors. theta energy: -20.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -167.895743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.895743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.895743 (E_RNA)
where:
Base-Base interactions energy: -105.840
where: short stacking energy: -61.633
Base-Backbone interact. energy: -0.098
local terms energy: -61.958420
where:
bonds (distance) C4'-P energy: -12.028
bonds (distance) P-C4' energy: -13.148
flat angles C4'-P-C4' energy: -15.071
flat angles P-C4'-P energy: -7.165
tors. eta vs tors. theta energy: -14.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -152.547860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.547860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.547860 (E_RNA)
where:
Base-Base interactions energy: -79.419
where: short stacking energy: -49.022
Base-Backbone interact. energy: -0.554
local terms energy: -72.574579
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -15.300
flat angles P-C4'-P energy: -11.010
tors. eta vs tors. theta energy: -15.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -98.166348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.166348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.166348 (E_RNA)
where:
Base-Base interactions energy: -41.246
where: short stacking energy: -36.090
Base-Backbone interact. energy: -0.351
local terms energy: -56.569313
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -16.524
flat angles C4'-P-C4' energy: -6.477
flat angles P-C4'-P energy: -12.034
tors. eta vs tors. theta energy: -6.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -92.277333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.277333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.277333 (E_RNA)
where:
Base-Base interactions energy: -44.297
where: short stacking energy: -40.013
Base-Backbone interact. energy: -0.133
local terms energy: -47.847403
where:
bonds (distance) C4'-P energy: -11.139
bonds (distance) P-C4' energy: -12.623
flat angles C4'-P-C4' energy: -14.719
flat angles P-C4'-P energy: -6.070
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: 310
Temperature: 1.300000
Total energy: -88.128349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.128349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.128349 (E_RNA)
where:
Base-Base interactions energy: -30.890
where: short stacking energy: -28.896
Base-Backbone interact. energy: -0.171
local terms energy: -57.066841
where:
bonds (distance) C4'-P energy: -11.426
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -12.734
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: -7.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -77.317345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.317345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.317345 (E_RNA)
where:
Base-Base interactions energy: -37.298
where: short stacking energy: -30.457
Base-Backbone interact. energy: -0.087
local terms energy: -39.933230
where:
bonds (distance) C4'-P energy: -13.081
bonds (distance) P-C4' energy: -14.543
flat angles C4'-P-C4' energy: -9.180
flat angles P-C4'-P energy: 1.788
tors. eta vs tors. theta energy: -4.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -209.883586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.883586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.883586 (E_RNA)
where:
Base-Base interactions energy: -131.770
where: short stacking energy: -58.587
Base-Backbone interact. energy: -0.004
local terms energy: -78.109816
where:
bonds (distance) C4'-P energy: -17.452
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -12.989
tors. eta vs tors. theta energy: -14.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -197.762958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.762958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.762958 (E_RNA)
where:
Base-Base interactions energy: -119.187
where: short stacking energy: -66.063
Base-Backbone interact. energy: 0.040
local terms energy: -78.616397
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -17.387
flat angles C4'-P-C4' energy: -15.873
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -18.381
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: 7
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -192.524313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.524313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.524313 (E_RNA)
where:
Base-Base interactions energy: -129.582
where: short stacking energy: -58.080
Base-Backbone interact. energy: -0.007
local terms energy: -62.934635
where:
bonds (distance) C4'-P energy: -13.825
bonds (distance) P-C4' energy: -13.369
flat angles C4'-P-C4' energy: -13.018
flat angles P-C4'-P energy: -8.352
tors. eta vs tors. theta energy: -14.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -156.163653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.163653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.163653 (E_RNA)
where:
Base-Base interactions energy: -95.654
where: short stacking energy: -51.062
Base-Backbone interact. energy: -0.112
local terms energy: -60.397370
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -14.336
flat angles P-C4'-P energy: -7.592
tors. eta vs tors. theta energy: -10.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -161.383855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.383855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.383855 (E_RNA)
where:
Base-Base interactions energy: -97.684
where: short stacking energy: -40.452
Base-Backbone interact. energy: -0.943
local terms energy: -62.757082
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -14.837
flat angles P-C4'-P energy: -10.107
tors. eta vs tors. theta energy: -5.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -143.333776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.333776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.333776 (E_RNA)
where:
Base-Base interactions energy: -73.162
where: short stacking energy: -37.351
Base-Backbone interact. energy: -0.147
local terms energy: -70.024363
where:
bonds (distance) C4'-P energy: -16.124
bonds (distance) P-C4' energy: -15.946
flat angles C4'-P-C4' energy: -16.649
flat angles P-C4'-P energy: -12.006
tors. eta vs tors. theta energy: -9.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -87.530478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.530478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.530478 (E_RNA)
where:
Base-Base interactions energy: -34.189
where: short stacking energy: -34.189
Base-Backbone interact. energy: -0.896
local terms energy: -52.444938
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -13.658
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -7.028
tors. eta vs tors. theta energy: -3.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -95.473683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.473683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.473683 (E_RNA)
where:
Base-Base interactions energy: -41.703
where: short stacking energy: -21.127
Base-Backbone interact. energy: -0.262
local terms energy: -53.507962
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -10.043
flat angles P-C4'-P energy: -11.603
tors. eta vs tors. theta energy: -2.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -81.260845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.260845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.260845 (E_RNA)
where:
Base-Base interactions energy: -30.102
where: short stacking energy: -19.557
Base-Backbone interact. energy: -0.552
local terms energy: -50.606427
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -10.022
flat angles P-C4'-P energy: -9.774
tors. eta vs tors. theta energy: -1.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -84.594465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.594465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.594465 (E_RNA)
where:
Base-Base interactions energy: -41.055
where: short stacking energy: -27.401
Base-Backbone interact. energy: -0.858
local terms energy: -42.681187
where:
bonds (distance) C4'-P energy: -8.256
bonds (distance) P-C4' energy: -12.612
flat angles C4'-P-C4' energy: -12.707
flat angles P-C4'-P energy: -3.501
tors. eta vs tors. theta energy: -5.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -206.508899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.508899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.508899 (E_RNA)
where:
Base-Base interactions energy: -132.667
where: short stacking energy: -57.488
Base-Backbone interact. energy: -0.722
local terms energy: -73.119127
where:
bonds (distance) C4'-P energy: -14.748
bonds (distance) P-C4' energy: -15.385
flat angles C4'-P-C4' energy: -16.047
flat angles P-C4'-P energy: -10.799
tors. eta vs tors. theta energy: -16.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -208.856216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.856216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.856216 (E_RNA)
where:
Base-Base interactions energy: -132.203
where: short stacking energy: -62.215
Base-Backbone interact. energy: -1.389
local terms energy: -75.263989
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -14.968
flat angles C4'-P-C4' energy: -15.898
flat angles P-C4'-P energy: -12.569
tors. eta vs tors. theta energy: -18.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -194.973013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.973013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.973013 (E_RNA)
where:
Base-Base interactions energy: -124.778
where: short stacking energy: -64.551
Base-Backbone interact. energy: -0.038
local terms energy: -70.156597
where:
bonds (distance) C4'-P energy: -14.129
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -15.781
flat angles P-C4'-P energy: -11.562
tors. eta vs tors. theta energy: -12.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -153.107103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.107103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.107103 (E_RNA)
where:
Base-Base interactions energy: -102.061
where: short stacking energy: -54.225
Base-Backbone interact. energy: -0.115
local terms energy: -50.930638
where:
bonds (distance) C4'-P energy: -8.404
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -13.587
flat angles P-C4'-P energy: -4.096
tors. eta vs tors. theta energy: -9.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -149.458637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.458637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.458637 (E_RNA)
where:
Base-Base interactions energy: -86.585
where: short stacking energy: -43.496
Base-Backbone interact. energy: 0.086
local terms energy: -62.960053
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -15.053
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -8.052
tors. eta vs tors. theta energy: -9.146
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: 6, replica: 4
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -155.547275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.547275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.547275 (E_RNA)
where:
Base-Base interactions energy: -96.580
where: short stacking energy: -55.358
Base-Backbone interact. energy: -0.137
local terms energy: -58.830796
where:
bonds (distance) C4'-P energy: -9.371
bonds (distance) P-C4' energy: -13.134
flat angles C4'-P-C4' energy: -15.514
flat angles P-C4'-P energy: -7.227
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: 7, replica: 10
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -98.367631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.367631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.367631 (E_RNA)
where:
Base-Base interactions energy: -48.069
where: short stacking energy: -35.710
Base-Backbone interact. energy: -0.161
local terms energy: -50.137290
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -17.074
flat angles C4'-P-C4' energy: -13.004
flat angles P-C4'-P energy: -4.991
tors. eta vs tors. theta energy: -0.391
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: 6
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -97.013428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.013428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.013428 (E_RNA)
where:
Base-Base interactions energy: -43.190
where: short stacking energy: -35.200
Base-Backbone interact. energy: -0.225
local terms energy: -53.598129
where:
bonds (distance) C4'-P energy: -9.129
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -13.128
flat angles P-C4'-P energy: -9.391
tors. eta vs tors. theta energy: -7.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -80.925403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.925403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.925403 (E_RNA)
where:
Base-Base interactions energy: -32.542
where: short stacking energy: -30.549
Base-Backbone interact. energy: -0.242
local terms energy: -48.141254
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -14.306
flat angles C4'-P-C4' energy: -10.593
flat angles P-C4'-P energy: -4.185
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: 10, replica: 5
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -75.962181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.962181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.962181 (E_RNA)
where:
Base-Base interactions energy: -22.391
where: short stacking energy: -22.129
Base-Backbone interact. energy: -0.319
local terms energy: -53.252831
where:
bonds (distance) C4'-P energy: -15.307
bonds (distance) P-C4' energy: -11.884
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -8.539
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: 1, replica: 2
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -214.245944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.245944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.245944 (E_RNA)
where:
Base-Base interactions energy: -143.456
where: short stacking energy: -56.417
Base-Backbone interact. energy: -0.320
local terms energy: -70.470519
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -15.657
flat angles P-C4'-P energy: -6.773
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: 2, replica: 7
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -195.274589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.274589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.274589 (E_RNA)
where:
Base-Base interactions energy: -124.151
where: short stacking energy: -56.306
Base-Backbone interact. energy: -0.168
local terms energy: -70.955988
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -17.909
flat angles P-C4'-P energy: -10.936
tors. eta vs tors. theta energy: -12.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -197.578923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.578923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.578923 (E_RNA)
where:
Base-Base interactions energy: -121.241
where: short stacking energy: -72.987
Base-Backbone interact. energy: -0.769
local terms energy: -75.568939
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -16.872
flat angles P-C4'-P energy: -11.329
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: 4, replica: 3
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -164.705185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.705185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.705185 (E_RNA)
where:
Base-Base interactions energy: -97.561
where: short stacking energy: -55.758
Base-Backbone interact. energy: -0.122
local terms energy: -67.022183
where:
bonds (distance) C4'-P energy: -15.209
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -12.054
flat angles P-C4'-P energy: -12.575
tors. eta vs tors. theta energy: -13.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -141.724301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.724301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.724301 (E_RNA)
where:
Base-Base interactions energy: -81.281
where: short stacking energy: -48.657
Base-Backbone interact. energy: -0.129
local terms energy: -60.314891
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -10.827
flat angles C4'-P-C4' energy: -12.545
flat angles P-C4'-P energy: -12.958
tors. eta vs tors. theta energy: -9.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -170.051951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.051951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.051951 (E_RNA)
where:
Base-Base interactions energy: -106.486
where: short stacking energy: -48.331
Base-Backbone interact. energy: -0.001
local terms energy: -63.564040
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -8.094
tors. eta vs tors. theta energy: -14.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -96.618219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.618219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.618219 (E_RNA)
where:
Base-Base interactions energy: -37.717
where: short stacking energy: -36.882
Base-Backbone interact. energy: 0.397
local terms energy: -59.298512
where:
bonds (distance) C4'-P energy: -12.295
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -17.221
flat angles P-C4'-P energy: -7.927
tors. eta vs tors. theta energy: -6.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -83.700483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.700483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.700483 (E_RNA)
where:
Base-Base interactions energy: -34.724
where: short stacking energy: -27.001
Base-Backbone interact. energy: -0.651
local terms energy: -48.325173
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -12.382
flat angles C4'-P-C4' energy: -16.661
flat angles P-C4'-P energy: -4.977
tors. eta vs tors. theta energy: -0.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -80.770246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.770246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.770246 (E_RNA)
where:
Base-Base interactions energy: -35.047
where: short stacking energy: -25.984
Base-Backbone interact. energy: -0.148
local terms energy: -45.574594
where:
bonds (distance) C4'-P energy: -8.647
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -13.323
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: 0.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -89.235284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.235284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.235284 (E_RNA)
where:
Base-Base interactions energy: -39.270
where: short stacking energy: -38.461
Base-Backbone interact. energy: -0.282
local terms energy: -49.683242
where:
bonds (distance) C4'-P energy: -11.378
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -10.579
flat angles P-C4'-P energy: -6.301
tors. eta vs tors. theta energy: -4.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -209.934589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.934589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.934589 (E_RNA)
where:
Base-Base interactions energy: -141.868
where: short stacking energy: -52.543
Base-Backbone interact. energy: -0.056
local terms energy: -68.010051
where:
bonds (distance) C4'-P energy: -13.035
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -10.651
tors. eta vs tors. theta energy: -13.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -200.121781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.121781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.121781 (E_RNA)
where:
Base-Base interactions energy: -137.260
where: short stacking energy: -53.760
Base-Backbone interact. energy: -0.452
local terms energy: -62.410277
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -10.334
flat angles P-C4'-P energy: -8.925
tors. eta vs tors. theta energy: -17.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -206.341315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.341315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.341315 (E_RNA)
where:
Base-Base interactions energy: -133.779
where: short stacking energy: -52.712
Base-Backbone interact. energy: -0.312
local terms energy: -72.249552
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -11.496
flat angles C4'-P-C4' energy: -17.791
flat angles P-C4'-P energy: -10.754
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: 3
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -167.447968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.447968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.447968 (E_RNA)
where:
Base-Base interactions energy: -96.887
where: short stacking energy: -56.060
Base-Backbone interact. energy: 0.084
local terms energy: -70.644460
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -14.405
flat angles P-C4'-P energy: -9.227
tors. eta vs tors. theta energy: -15.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -170.175982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.175982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.175982 (E_RNA)
where:
Base-Base interactions energy: -113.854
where: short stacking energy: -49.739
Base-Backbone interact. energy: -0.820
local terms energy: -55.501749
where:
bonds (distance) C4'-P energy: -8.252
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -15.566
flat angles P-C4'-P energy: -5.394
tors. eta vs tors. theta energy: -13.187
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: 314
Temperature: 1.150000
Total energy: -142.166277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.166277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.166277 (E_RNA)
where:
Base-Base interactions energy: -86.780
where: short stacking energy: -43.736
Base-Backbone interact. energy: -0.099
local terms energy: -55.287763
where:
bonds (distance) C4'-P energy: -11.696
bonds (distance) P-C4' energy: -8.465
flat angles C4'-P-C4' energy: -11.749
flat angles P-C4'-P energy: -10.193
tors. eta vs tors. theta energy: -13.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -96.522015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.522015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.522015 (E_RNA)
where:
Base-Base interactions energy: -32.557
where: short stacking energy: -32.469
Base-Backbone interact. energy: -0.092
local terms energy: -63.873311
where:
bonds (distance) C4'-P energy: -17.183
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -10.109
flat angles P-C4'-P energy: -11.668
tors. eta vs tors. theta energy: -7.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -105.250791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.250791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.250791 (E_RNA)
where:
Base-Base interactions energy: -42.216
where: short stacking energy: -41.405
Base-Backbone interact. energy: -0.116
local terms energy: -62.918999
where:
bonds (distance) C4'-P energy: -15.530
bonds (distance) P-C4' energy: -15.492
flat angles C4'-P-C4' energy: -11.542
flat angles P-C4'-P energy: -9.686
tors. eta vs tors. theta energy: -10.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -95.496115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.496115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.496115 (E_RNA)
where:
Base-Base interactions energy: -38.848
where: short stacking energy: -27.838
Base-Backbone interact. energy: -0.984
local terms energy: -55.663946
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -13.213
flat angles C4'-P-C4' energy: -12.775
flat angles P-C4'-P energy: -8.118
tors. eta vs tors. theta energy: -7.220
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: 10, replica: 6
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -78.937533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.937533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.937533 (E_RNA)
where:
Base-Base interactions energy: -26.895
where: short stacking energy: -26.597
Base-Backbone interact. energy: -0.266
local terms energy: -51.776047
where:
bonds (distance) C4'-P energy: -11.726
bonds (distance) P-C4' energy: -12.302
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -10.573
tors. eta vs tors. theta energy: -3.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -209.845754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.845754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.845754 (E_RNA)
where:
Base-Base interactions energy: -147.085
where: short stacking energy: -52.795
Base-Backbone interact. energy: -0.018
local terms energy: -62.742793
where:
bonds (distance) C4'-P energy: -11.057
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -15.360
flat angles P-C4'-P energy: -10.895
tors. eta vs tors. theta energy: -11.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -212.727671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.727671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.727671 (E_RNA)
where:
Base-Base interactions energy: -135.326
where: short stacking energy: -64.273
Base-Backbone interact. energy: -0.478
local terms energy: -76.923171
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -13.152
tors. eta vs tors. theta energy: -20.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -211.559449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.559449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.559449 (E_RNA)
where:
Base-Base interactions energy: -129.769
where: short stacking energy: -67.018
Base-Backbone interact. energy: -0.279
local terms energy: -81.511272
where:
bonds (distance) C4'-P energy: -16.066
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -15.961
flat angles P-C4'-P energy: -13.565
tors. eta vs tors. theta energy: -18.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -187.944878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.944878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.944878 (E_RNA)
where:
Base-Base interactions energy: -123.429
where: short stacking energy: -58.078
Base-Backbone interact. energy: -3.181
local terms energy: -61.335444
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -10.619
flat angles P-C4'-P energy: -7.436
tors. eta vs tors. theta energy: -14.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -160.792111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.792111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.792111 (E_RNA)
where:
Base-Base interactions energy: -96.473
where: short stacking energy: -59.213
Base-Backbone interact. energy: -0.554
local terms energy: -63.764874
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -12.408
flat angles C4'-P-C4' energy: -16.525
flat angles P-C4'-P energy: -10.045
tors. eta vs tors. theta energy: -11.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -162.392862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.392862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.392862 (E_RNA)
where:
Base-Base interactions energy: -94.591
where: short stacking energy: -56.772
Base-Backbone interact. energy: -0.002
local terms energy: -67.800655
where:
bonds (distance) C4'-P energy: -11.709
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -16.790
flat angles P-C4'-P energy: -9.557
tors. eta vs tors. theta energy: -15.968
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: 7, replica: 8
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -85.175866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.175866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.175866 (E_RNA)
where:
Base-Base interactions energy: -30.525
where: short stacking energy: -30.525
Base-Backbone interact. energy: -0.365
local terms energy: -54.285261
where:
bonds (distance) C4'-P energy: -13.959
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -7.870
flat angles P-C4'-P energy: -12.480
tors. eta vs tors. theta energy: -6.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -87.488216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.488216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.488216 (E_RNA)
where:
Base-Base interactions energy: -40.232
where: short stacking energy: -35.164
Base-Backbone interact. energy: -1.422
local terms energy: -45.834209
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -8.661
flat angles C4'-P-C4' energy: -11.843
flat angles P-C4'-P energy: -8.323
tors. eta vs tors. theta energy: -4.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -93.980161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.980161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.980161 (E_RNA)
where:
Base-Base interactions energy: -46.306
where: short stacking energy: -43.513
Base-Backbone interact. energy: -0.114
local terms energy: -47.560888
where:
bonds (distance) C4'-P energy: -11.108
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -13.391
flat angles P-C4'-P energy: -2.089
tors. eta vs tors. theta energy: -4.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -81.650749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.650749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.650749 (E_RNA)
where:
Base-Base interactions energy: -32.601
where: short stacking energy: -32.601
Base-Backbone interact. energy: -0.112
local terms energy: -48.936889
where:
bonds (distance) C4'-P energy: -6.465
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -15.090
flat angles P-C4'-P energy: -8.975
tors. eta vs tors. theta energy: -3.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -212.760201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.760201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.760201 (E_RNA)
where:
Base-Base interactions energy: -131.896
where: short stacking energy: -71.266
Base-Backbone interact. energy: -0.681
local terms energy: -80.183164
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -11.595
flat angles C4'-P-C4' energy: -16.291
flat angles P-C4'-P energy: -13.576
tors. eta vs tors. theta energy: -23.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -204.215940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.215940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.215940 (E_RNA)
where:
Base-Base interactions energy: -134.266
where: short stacking energy: -59.231
Base-Backbone interact. energy: -0.090
local terms energy: -69.859829
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -13.607
flat angles P-C4'-P energy: -7.391
tors. eta vs tors. theta energy: -16.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -196.972563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.972563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.972563 (E_RNA)
where:
Base-Base interactions energy: -126.401
where: short stacking energy: -60.173
Base-Backbone interact. energy: -0.491
local terms energy: -70.080591
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -15.601
flat angles P-C4'-P energy: -6.165
tors. eta vs tors. theta energy: -18.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -181.574747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.574747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.574747 (E_RNA)
where:
Base-Base interactions energy: -108.503
where: short stacking energy: -52.686
Base-Backbone interact. energy: -0.002
local terms energy: -73.070085
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -16.592
flat angles P-C4'-P energy: -11.570
tors. eta vs tors. theta energy: -17.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -154.419419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.419419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.419419 (E_RNA)
where:
Base-Base interactions energy: -90.890
where: short stacking energy: -47.134
Base-Backbone interact. energy: -0.194
local terms energy: -63.335981
where:
bonds (distance) C4'-P energy: -15.920
bonds (distance) P-C4' energy: -10.238
flat angles C4'-P-C4' energy: -16.170
flat angles P-C4'-P energy: -7.467
tors. eta vs tors. theta energy: -13.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -131.422648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.422648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.422648 (E_RNA)
where:
Base-Base interactions energy: -75.358
where: short stacking energy: -46.391
Base-Backbone interact. energy: -0.130
local terms energy: -55.935030
where:
bonds (distance) C4'-P energy: -7.705
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -13.404
flat angles P-C4'-P energy: -10.441
tors. eta vs tors. theta energy: -9.743
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: 8
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -94.733388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.733388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.733388 (E_RNA)
where:
Base-Base interactions energy: -46.808
where: short stacking energy: -34.072
Base-Backbone interact. energy: 0.272
local terms energy: -48.198197
where:
bonds (distance) C4'-P energy: -6.780
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -10.280
flat angles P-C4'-P energy: -10.885
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: 8, replica: 5
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -84.944347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.944347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.944347 (E_RNA)
where:
Base-Base interactions energy: -32.393
where: short stacking energy: -31.485
Base-Backbone interact. energy: -0.185
local terms energy: -52.366197
where:
bonds (distance) C4'-P energy: -11.834
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -15.303
flat angles P-C4'-P energy: -6.733
tors. eta vs tors. theta energy: -2.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -81.396569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.396569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.396569 (E_RNA)
where:
Base-Base interactions energy: -33.203
where: short stacking energy: -28.037
Base-Backbone interact. energy: -0.195
local terms energy: -47.998451
where:
bonds (distance) C4'-P energy: -12.980
bonds (distance) P-C4' energy: -9.700
flat angles C4'-P-C4' energy: -13.295
flat angles P-C4'-P energy: -5.091
tors. eta vs tors. theta energy: -6.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -87.808366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.808366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.808366 (E_RNA)
where:
Base-Base interactions energy: -37.033
where: short stacking energy: -37.033
Base-Backbone interact. energy: -0.169
local terms energy: -50.605854
where:
bonds (distance) C4'-P energy: -11.295
bonds (distance) P-C4' energy: -9.631
flat angles C4'-P-C4' energy: -11.147
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: -9.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -211.824712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.824712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.824712 (E_RNA)
where:
Base-Base interactions energy: -134.957
where: short stacking energy: -68.779
Base-Backbone interact. energy: -0.014
local terms energy: -76.854029
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -14.232
flat angles P-C4'-P energy: -8.776
tors. eta vs tors. theta energy: -18.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -183.631358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.631358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.631358 (E_RNA)
where:
Base-Base interactions energy: -114.025
where: short stacking energy: -57.514
Base-Backbone interact. energy: -0.539
local terms energy: -69.066857
where:
bonds (distance) C4'-P energy: -14.046
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -17.507
flat angles P-C4'-P energy: -6.998
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: 3, replica: 2
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -194.894143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.894143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.894143 (E_RNA)
where:
Base-Base interactions energy: -128.852
where: short stacking energy: -59.319
Base-Backbone interact. energy: -0.599
local terms energy: -65.442408
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -16.226
flat angles C4'-P-C4' energy: -6.157
flat angles P-C4'-P energy: -12.487
tors. eta vs tors. theta energy: -13.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -162.837128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.837128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.837128 (E_RNA)
where:
Base-Base interactions energy: -100.855
where: short stacking energy: -55.120
Base-Backbone interact. energy: -0.084
local terms energy: -61.897316
where:
bonds (distance) C4'-P energy: -11.533
bonds (distance) P-C4' energy: -14.730
flat angles C4'-P-C4' energy: -16.149
flat angles P-C4'-P energy: -7.534
tors. eta vs tors. theta energy: -11.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -158.921705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.921705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.921705 (E_RNA)
where:
Base-Base interactions energy: -90.281
where: short stacking energy: -49.730
Base-Backbone interact. energy: -0.776
local terms energy: -67.864934
where:
bonds (distance) C4'-P energy: -17.808
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -14.181
flat angles P-C4'-P energy: -6.201
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: 6, replica: 1
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -128.403713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.403713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.403713 (E_RNA)
where:
Base-Base interactions energy: -73.130
where: short stacking energy: -38.326
Base-Backbone interact. energy: -0.068
local terms energy: -55.205982
where:
bonds (distance) C4'-P energy: -10.633
bonds (distance) P-C4' energy: -11.881
flat angles C4'-P-C4' energy: -14.753
flat angles P-C4'-P energy: -6.311
tors. eta vs tors. theta energy: -11.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -113.288913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.288913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.288913 (E_RNA)
where:
Base-Base interactions energy: -53.379
where: short stacking energy: -39.603
Base-Backbone interact. energy: -0.136
local terms energy: -59.774344
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -11.246
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: -8.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -85.618492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.618492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.618492 (E_RNA)
where:
Base-Base interactions energy: -34.820
where: short stacking energy: -31.426
Base-Backbone interact. energy: -0.140
local terms energy: -50.658347
where:
bonds (distance) C4'-P energy: -11.349
bonds (distance) P-C4' energy: -15.587
flat angles C4'-P-C4' energy: -8.899
flat angles P-C4'-P energy: -8.469
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: 9, replica: 5
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -78.518135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.518135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.518135 (E_RNA)
where:
Base-Base interactions energy: -29.788
where: short stacking energy: -23.218
Base-Backbone interact. energy: -0.077
local terms energy: -48.653226
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -15.640
flat angles C4'-P-C4' energy: -12.442
flat angles P-C4'-P energy: -5.244
tors. eta vs tors. theta energy: -2.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -79.658108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.658108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.658108 (E_RNA)
where:
Base-Base interactions energy: -32.715
where: short stacking energy: -28.383
Base-Backbone interact. energy: -0.169
local terms energy: -46.774094
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -11.155
flat angles C4'-P-C4' energy: -14.664
flat angles P-C4'-P energy: -8.320
tors. eta vs tors. theta energy: 0.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -224.987102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.987102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.987102 (E_RNA)
where:
Base-Base interactions energy: -139.502
where: short stacking energy: -68.595
Base-Backbone interact. energy: -0.328
local terms energy: -85.157338
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -18.091
flat angles C4'-P-C4' energy: -16.922
flat angles P-C4'-P energy: -12.984
tors. eta vs tors. theta energy: -20.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -186.694092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.694092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.694092 (E_RNA)
where:
Base-Base interactions energy: -124.573
where: short stacking energy: -55.999
Base-Backbone interact. energy: 0.271
local terms energy: -62.392809
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -14.118
flat angles C4'-P-C4' energy: -11.041
flat angles P-C4'-P energy: -12.423
tors. eta vs tors. theta energy: -9.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -188.165470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.165470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.165470 (E_RNA)
where:
Base-Base interactions energy: -117.471
where: short stacking energy: -56.590
Base-Backbone interact. energy: -0.028
local terms energy: -70.666464
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -15.785
flat angles P-C4'-P energy: -8.336
tors. eta vs tors. theta energy: -13.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -163.876298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.876298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.876298 (E_RNA)
where:
Base-Base interactions energy: -99.984
where: short stacking energy: -48.873
Base-Backbone interact. energy: -0.535
local terms energy: -63.357829
where:
bonds (distance) C4'-P energy: -16.255
bonds (distance) P-C4' energy: -10.944
flat angles C4'-P-C4' energy: -16.872
flat angles P-C4'-P energy: -8.158
tors. eta vs tors. theta energy: -11.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -174.410596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.410596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.410596 (E_RNA)
where:
Base-Base interactions energy: -106.065
where: short stacking energy: -59.281
Base-Backbone interact. energy: -0.309
local terms energy: -68.036147
where:
bonds (distance) C4'-P energy: -8.796
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -12.279
tors. eta vs tors. theta energy: -15.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -131.511471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.511471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.511471 (E_RNA)
where:
Base-Base interactions energy: -80.808
where: short stacking energy: -34.510
Base-Backbone interact. energy: -1.150
local terms energy: -49.553502
where:
bonds (distance) C4'-P energy: -11.975
bonds (distance) P-C4' energy: -13.854
flat angles C4'-P-C4' energy: -8.735
flat angles P-C4'-P energy: -13.051
tors. eta vs tors. theta energy: -1.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -97.628174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.628174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.628174 (E_RNA)
where:
Base-Base interactions energy: -44.893
where: short stacking energy: -32.895
Base-Backbone interact. energy: 0.307
local terms energy: -53.042162
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -6.753
flat angles P-C4'-P energy: -7.847
tors. eta vs tors. theta energy: -7.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -87.687835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.687835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.687835 (E_RNA)
where:
Base-Base interactions energy: -32.204
where: short stacking energy: -28.567
Base-Backbone interact. energy: -0.033
local terms energy: -55.450853
where:
bonds (distance) C4'-P energy: -11.566
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -13.202
flat angles P-C4'-P energy: -9.902
tors. eta vs tors. theta energy: -3.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -82.816985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.816985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.816985 (E_RNA)
where:
Base-Base interactions energy: -33.874
where: short stacking energy: -32.714
Base-Backbone interact. energy: -0.058
local terms energy: -48.885443
where:
bonds (distance) C4'-P energy: -7.868
bonds (distance) P-C4' energy: -9.514
flat angles C4'-P-C4' energy: -12.879
flat angles P-C4'-P energy: -9.768
tors. eta vs tors. theta energy: -8.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -74.160488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.160488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.160488 (E_RNA)
where:
Base-Base interactions energy: -22.367
where: short stacking energy: -22.367
Base-Backbone interact. energy: -1.271
local terms energy: -50.522664
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -11.433
flat angles P-C4'-P energy: -11.691
tors. eta vs tors. theta energy: 3.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -212.910351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.910351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.910351 (E_RNA)
where:
Base-Base interactions energy: -136.358
where: short stacking energy: -69.250
Base-Backbone interact. energy: -0.709
local terms energy: -75.843419
where:
bonds (distance) C4'-P energy: -14.619
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -16.882
flat angles P-C4'-P energy: -9.932
tors. eta vs tors. theta energy: -18.021
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: 2
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -195.314013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.314013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.314013 (E_RNA)
where:
Base-Base interactions energy: -124.303
where: short stacking energy: -58.022
Base-Backbone interact. energy: -0.209
local terms energy: -70.802086
where:
bonds (distance) C4'-P energy: -14.816
bonds (distance) P-C4' energy: -11.796
flat angles C4'-P-C4' energy: -15.165
flat angles P-C4'-P energy: -13.662
tors. eta vs tors. theta energy: -15.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -189.615021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.615021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.615021 (E_RNA)
where:
Base-Base interactions energy: -123.201
where: short stacking energy: -53.088
Base-Backbone interact. energy: -0.283
local terms energy: -66.131452
where:
bonds (distance) C4'-P energy: -14.385
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -13.449
flat angles P-C4'-P energy: -9.616
tors. eta vs tors. theta energy: -12.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -172.454048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.454048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.454048 (E_RNA)
where:
Base-Base interactions energy: -102.363
where: short stacking energy: -45.726
Base-Backbone interact. energy: -0.415
local terms energy: -69.676533
where:
bonds (distance) C4'-P energy: -16.810
bonds (distance) P-C4' energy: -15.746
flat angles C4'-P-C4' energy: -12.765
flat angles P-C4'-P energy: -10.026
tors. eta vs tors. theta energy: -14.330
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: 7
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -173.341374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.341374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.341374 (E_RNA)
where:
Base-Base interactions energy: -108.413
where: short stacking energy: -45.983
Base-Backbone interact. energy: -0.085
local terms energy: -64.842779
where:
bonds (distance) C4'-P energy: -16.393
bonds (distance) P-C4' energy: -16.979
flat angles C4'-P-C4' energy: -11.095
flat angles P-C4'-P energy: -7.595
tors. eta vs tors. theta energy: -12.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -94.969018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.969018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.969018 (E_RNA)
where:
Base-Base interactions energy: -39.555
where: short stacking energy: -38.239
Base-Backbone interact. energy: -0.004
local terms energy: -55.409913
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -11.494
flat angles P-C4'-P energy: -5.140
tors. eta vs tors. theta energy: -12.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -91.185850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.185850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.185850 (E_RNA)
where:
Base-Base interactions energy: -36.280
where: short stacking energy: -36.280
Base-Backbone interact. energy: -1.025
local terms energy: -53.880757
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -9.291
flat angles P-C4'-P energy: -10.207
tors. eta vs tors. theta energy: -7.767
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: 8
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -85.383808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.383808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.383808 (E_RNA)
where:
Base-Base interactions energy: -36.321
where: short stacking energy: -30.363
Base-Backbone interact. energy: -0.125
local terms energy: -48.937678
where:
bonds (distance) C4'-P energy: -6.021
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -12.760
flat angles P-C4'-P energy: -5.938
tors. eta vs tors. theta energy: -8.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -75.107459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.107459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.107459 (E_RNA)
where:
Base-Base interactions energy: -24.193
where: short stacking energy: -16.002
Base-Backbone interact. energy: -0.837
local terms energy: -50.077262
where:
bonds (distance) C4'-P energy: -13.724
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -10.407
flat angles P-C4'-P energy: -9.203
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: 10, replica: 5
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -80.208090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.208090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.208090 (E_RNA)
where:
Base-Base interactions energy: -35.176
where: short stacking energy: -27.982
Base-Backbone interact. energy: -0.237
local terms energy: -44.794799
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -11.461
flat angles P-C4'-P energy: -6.255
tors. eta vs tors. theta energy: 2.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -221.793741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.793741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.793741 (E_RNA)
where:
Base-Base interactions energy: -145.610
where: short stacking energy: -67.898
Base-Backbone interact. energy: -0.006
local terms energy: -76.177555
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -16.862
flat angles P-C4'-P energy: -10.961
tors. eta vs tors. theta energy: -18.523
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: 2, replica: 2
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -210.332082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.332082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.332082 (E_RNA)
where:
Base-Base interactions energy: -138.309
where: short stacking energy: -61.453
Base-Backbone interact. energy: -0.220
local terms energy: -71.803008
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -14.869
flat angles C4'-P-C4' energy: -16.016
flat angles P-C4'-P energy: -11.763
tors. eta vs tors. theta energy: -15.901
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: 4
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -188.947727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.947727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.947727 (E_RNA)
where:
Base-Base interactions energy: -126.287
where: short stacking energy: -55.559
Base-Backbone interact. energy: 0.968
local terms energy: -63.629209
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -15.161
flat angles P-C4'-P energy: -9.844
tors. eta vs tors. theta energy: -8.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -176.367788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.367788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.367788 (E_RNA)
where:
Base-Base interactions energy: -112.943
where: short stacking energy: -59.613
Base-Backbone interact. energy: -0.943
local terms energy: -62.481754
where:
bonds (distance) C4'-P energy: -12.280
bonds (distance) P-C4' energy: -11.333
flat angles C4'-P-C4' energy: -11.865
flat angles P-C4'-P energy: -12.079
tors. eta vs tors. theta energy: -14.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -177.373212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.373212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.373212 (E_RNA)
where:
Base-Base interactions energy: -113.017
where: short stacking energy: -48.386
Base-Backbone interact. energy: -0.340
local terms energy: -64.015709
where:
bonds (distance) C4'-P energy: -10.782
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -14.039
flat angles P-C4'-P energy: -13.307
tors. eta vs tors. theta energy: -10.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -96.370411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.370411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.370411 (E_RNA)
where:
Base-Base interactions energy: -44.832
where: short stacking energy: -44.832
Base-Backbone interact. energy: -0.042
local terms energy: -51.496074
where:
bonds (distance) C4'-P energy: -16.761
bonds (distance) P-C4' energy: -7.808
flat angles C4'-P-C4' energy: -11.262
flat angles P-C4'-P energy: -8.903
tors. eta vs tors. theta energy: -6.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -104.249125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.249125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.249125 (E_RNA)
where:
Base-Base interactions energy: -38.312
where: short stacking energy: -38.312
Base-Backbone interact. energy: -0.026
local terms energy: -65.910947
where:
bonds (distance) C4'-P energy: -13.961
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -13.083
flat angles P-C4'-P energy: -13.904
tors. eta vs tors. theta energy: -8.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -81.921874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.921874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.921874 (E_RNA)
where:
Base-Base interactions energy: -27.994
where: short stacking energy: -27.994
Base-Backbone interact. energy: -0.110
local terms energy: -53.817954
where:
bonds (distance) C4'-P energy: -16.508
bonds (distance) P-C4' energy: -15.583
flat angles C4'-P-C4' energy: -8.159
flat angles P-C4'-P energy: -11.438
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: 5
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -87.787501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.787501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.787501 (E_RNA)
where:
Base-Base interactions energy: -37.492
where: short stacking energy: -29.064
Base-Backbone interact. energy: -0.144
local terms energy: -50.151652
where:
bonds (distance) C4'-P energy: -6.446
bonds (distance) P-C4' energy: -17.610
flat angles C4'-P-C4' energy: -13.704
flat angles P-C4'-P energy: -5.298
tors. eta vs tors. theta energy: -7.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -91.971195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.971195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.971195 (E_RNA)
where:
Base-Base interactions energy: -34.398
where: short stacking energy: -27.874
Base-Backbone interact. energy: -0.026
local terms energy: -57.548060
where:
bonds (distance) C4'-P energy: -16.139
bonds (distance) P-C4' energy: -16.340
flat angles C4'-P-C4' energy: -13.449
flat angles P-C4'-P energy: -8.760
tors. eta vs tors. theta energy: -2.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -213.967989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.967989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.967989 (E_RNA)
where:
Base-Base interactions energy: -135.522
where: short stacking energy: -63.961
Base-Backbone interact. energy: -0.589
local terms energy: -77.856859
where:
bonds (distance) C4'-P energy: -13.880
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -16.239
flat angles P-C4'-P energy: -8.589
tors. eta vs tors. theta energy: -21.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -180.600342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.600342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.600342 (E_RNA)
where:
Base-Base interactions energy: -118.407
where: short stacking energy: -50.090
Base-Backbone interact. energy: -0.122
local terms energy: -62.071174
where:
bonds (distance) C4'-P energy: -13.006
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -13.996
flat angles P-C4'-P energy: -9.391
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: 3, replica: 2
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -172.281151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.281151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.281151 (E_RNA)
where:
Base-Base interactions energy: -116.315
where: short stacking energy: -52.819
Base-Backbone interact. energy: -0.033
local terms energy: -55.933542
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -12.992
flat angles C4'-P-C4' energy: -13.602
flat angles P-C4'-P energy: -5.957
tors. eta vs tors. theta energy: -7.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -176.961184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.961184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.961184 (E_RNA)
where:
Base-Base interactions energy: -110.330
where: short stacking energy: -51.522
Base-Backbone interact. energy: -0.569
local terms energy: -66.062936
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -13.836
flat angles C4'-P-C4' energy: -11.520
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -16.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -159.816815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.816815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.816815 (E_RNA)
where:
Base-Base interactions energy: -91.912
where: short stacking energy: -49.879
Base-Backbone interact. energy: -2.813
local terms energy: -65.091663
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -14.632
flat angles C4'-P-C4' energy: -15.679
flat angles P-C4'-P energy: -5.957
tors. eta vs tors. theta energy: -14.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -108.122594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.122594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.122594 (E_RNA)
where:
Base-Base interactions energy: -50.101
where: short stacking energy: -50.101
Base-Backbone interact. energy: -0.012
local terms energy: -58.009878
where:
bonds (distance) C4'-P energy: -12.554
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -15.221
flat angles P-C4'-P energy: -5.745
tors. eta vs tors. theta energy: -10.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -98.258499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.258499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.258499 (E_RNA)
where:
Base-Base interactions energy: -36.652
where: short stacking energy: -36.652
Base-Backbone interact. energy: -0.064
local terms energy: -61.542126
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -13.821
flat angles P-C4'-P energy: -11.680
tors. eta vs tors. theta energy: -7.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -87.144465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.144465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.144465 (E_RNA)
where:
Base-Base interactions energy: -40.234
where: short stacking energy: -31.602
Base-Backbone interact. energy: -0.294
local terms energy: -46.616644
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -14.860
flat angles C4'-P-C4' energy: -6.346
flat angles P-C4'-P energy: -8.976
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: 9, replica: 6
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -86.508310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.508310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.508310 (E_RNA)
where:
Base-Base interactions energy: -31.906
where: short stacking energy: -35.406
Base-Backbone interact. energy: -0.073
local terms energy: -54.529182
where:
bonds (distance) C4'-P energy: -13.663
bonds (distance) P-C4' energy: -15.533
flat angles C4'-P-C4' energy: -11.584
flat angles P-C4'-P energy: -7.185
tors. eta vs tors. theta energy: -6.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -86.899079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.899079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.899079 (E_RNA)
where:
Base-Base interactions energy: -33.566
where: short stacking energy: -25.781
Base-Backbone interact. energy: -0.036
local terms energy: -53.296929
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -15.954
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -5.225
tors. eta vs tors. theta energy: -3.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -217.396521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.396521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.396521 (E_RNA)
where:
Base-Base interactions energy: -141.460
where: short stacking energy: -70.409
Base-Backbone interact. energy: -0.520
local terms energy: -75.416969
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -14.831
flat angles C4'-P-C4' energy: -18.880
flat angles P-C4'-P energy: -7.154
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: 2, replica: 4
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -191.309317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.309317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.309317 (E_RNA)
where:
Base-Base interactions energy: -131.755
where: short stacking energy: -54.860
Base-Backbone interact. energy: 0.731
local terms energy: -60.285086
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -15.162
flat angles P-C4'-P energy: -3.767
tors. eta vs tors. theta energy: -8.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -187.602294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.602294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.602294 (E_RNA)
where:
Base-Base interactions energy: -120.441
where: short stacking energy: -65.229
Base-Backbone interact. energy: -1.666
local terms energy: -65.494811
where:
bonds (distance) C4'-P energy: -14.580
bonds (distance) P-C4' energy: -14.373
flat angles C4'-P-C4' energy: -14.687
flat angles P-C4'-P energy: -5.390
tors. eta vs tors. theta energy: -16.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -162.985597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.985597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.985597 (E_RNA)
where:
Base-Base interactions energy: -99.050
where: short stacking energy: -52.363
Base-Backbone interact. energy: -0.062
local terms energy: -63.873719
where:
bonds (distance) C4'-P energy: -11.727
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -14.380
flat angles P-C4'-P energy: -9.283
tors. eta vs tors. theta energy: -10.949
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: 322
Temperature: 1.100000
Total energy: -160.916075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.916075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.916075 (E_RNA)
where:
Base-Base interactions energy: -97.563
where: short stacking energy: -50.811
Base-Backbone interact. energy: -3.104
local terms energy: -60.248617
where:
bonds (distance) C4'-P energy: -10.587
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -13.832
flat angles P-C4'-P energy: -6.383
tors. eta vs tors. theta energy: -13.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -99.984481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.984481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.984481 (E_RNA)
where:
Base-Base interactions energy: -39.846
where: short stacking energy: -39.846
Base-Backbone interact. energy: -0.086
local terms energy: -60.051958
where:
bonds (distance) C4'-P energy: -12.298
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -17.377
flat angles P-C4'-P energy: -6.677
tors. eta vs tors. theta energy: -8.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -95.842760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.842760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.842760 (E_RNA)
where:
Base-Base interactions energy: -38.222
where: short stacking energy: -31.586
Base-Backbone interact. energy: -0.047
local terms energy: -57.574294
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -13.077
flat angles P-C4'-P energy: -10.659
tors. eta vs tors. theta energy: -7.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -103.766021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.766021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.766021 (E_RNA)
where:
Base-Base interactions energy: -47.496
where: short stacking energy: -40.059
Base-Backbone interact. energy: -0.236
local terms energy: -56.033988
where:
bonds (distance) C4'-P energy: -12.036
bonds (distance) P-C4' energy: -10.929
flat angles C4'-P-C4' energy: -14.426
flat angles P-C4'-P energy: -11.582
tors. eta vs tors. theta energy: -7.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -89.127348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.127348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.127348 (E_RNA)
where:
Base-Base interactions energy: -38.513
where: short stacking energy: -32.593
Base-Backbone interact. energy: -0.052
local terms energy: -50.562207
where:
bonds (distance) C4'-P energy: -12.882
bonds (distance) P-C4' energy: -10.958
flat angles C4'-P-C4' energy: -13.515
flat angles P-C4'-P energy: -6.217
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: 10, replica: 6
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -79.376377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.376377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.376377 (E_RNA)
where:
Base-Base interactions energy: -35.979
where: short stacking energy: -35.036
Base-Backbone interact. energy: -0.368
local terms energy: -43.029699
where:
bonds (distance) C4'-P energy: -12.632
bonds (distance) P-C4' energy: -11.760
flat angles C4'-P-C4' energy: -11.989
flat angles P-C4'-P energy: -6.727
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: 9
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -217.243362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.243362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.243362 (E_RNA)
where:
Base-Base interactions energy: -137.215
where: short stacking energy: -64.342
Base-Backbone interact. energy: -0.461
local terms energy: -79.567754
where:
bonds (distance) C4'-P energy: -16.984
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -15.463
flat angles P-C4'-P energy: -10.070
tors. eta vs tors. theta energy: -20.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -182.273380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.273380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.273380 (E_RNA)
where:
Base-Base interactions energy: -118.767
where: short stacking energy: -52.532
Base-Backbone interact. energy: -0.009
local terms energy: -63.497585
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -15.844
flat angles C4'-P-C4' energy: -11.621
flat angles P-C4'-P energy: -7.069
tors. eta vs tors. theta energy: -12.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -191.642863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.642863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.642863 (E_RNA)
where:
Base-Base interactions energy: -131.156
where: short stacking energy: -51.541
Base-Backbone interact. energy: -0.139
local terms energy: -60.348152
where:
bonds (distance) C4'-P energy: -8.380
bonds (distance) P-C4' energy: -13.702
flat angles C4'-P-C4' energy: -15.772
flat angles P-C4'-P energy: -12.426
tors. eta vs tors. theta energy: -10.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -172.536719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.536719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.536719 (E_RNA)
where:
Base-Base interactions energy: -102.327
where: short stacking energy: -58.512
Base-Backbone interact. energy: -0.007
local terms energy: -70.201951
where:
bonds (distance) C4'-P energy: -13.586
bonds (distance) P-C4' energy: -12.695
flat angles C4'-P-C4' energy: -14.531
flat angles P-C4'-P energy: -12.475
tors. eta vs tors. theta energy: -16.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -139.116430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.116430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.116430 (E_RNA)
where:
Base-Base interactions energy: -74.375
where: short stacking energy: -41.116
Base-Backbone interact. energy: -0.144
local terms energy: -64.597482
where:
bonds (distance) C4'-P energy: -11.920
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -18.466
flat angles P-C4'-P energy: -7.145
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: 6, replica: 5
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -91.213229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.213229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.213229 (E_RNA)
where:
Base-Base interactions energy: -42.189
where: short stacking energy: -35.928
Base-Backbone interact. energy: -0.612
local terms energy: -48.412309
where:
bonds (distance) C4'-P energy: -14.774
bonds (distance) P-C4' energy: -13.600
flat angles C4'-P-C4' energy: -7.605
flat angles P-C4'-P energy: -7.359
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: 7, replica: 8
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -90.438425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.438425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.438425 (E_RNA)
where:
Base-Base interactions energy: -36.099
where: short stacking energy: -31.180
Base-Backbone interact. energy: -0.377
local terms energy: -53.962949
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -13.179
flat angles P-C4'-P energy: -11.295
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: 10
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -96.140817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.140817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.140817 (E_RNA)
where:
Base-Base interactions energy: -44.971
where: short stacking energy: -29.903
Base-Backbone interact. energy: -0.385
local terms energy: -50.785008
where:
bonds (distance) C4'-P energy: -7.521
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -5.198
tors. eta vs tors. theta energy: -6.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -91.269128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.269128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.269128 (E_RNA)
where:
Base-Base interactions energy: -40.344
where: short stacking energy: -40.344
Base-Backbone interact. energy: -0.025
local terms energy: -50.899922
where:
bonds (distance) C4'-P energy: -10.327
bonds (distance) P-C4' energy: -12.815
flat angles C4'-P-C4' energy: -9.612
flat angles P-C4'-P energy: -7.519
tors. eta vs tors. theta energy: -10.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -76.909593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.909593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.909593 (E_RNA)
where:
Base-Base interactions energy: -28.032
where: short stacking energy: -28.032
Base-Backbone interact. energy: -0.118
local terms energy: -48.759088
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -10.131
flat angles C4'-P-C4' energy: -15.449
flat angles P-C4'-P energy: -5.965
tors. eta vs tors. theta energy: -3.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -216.578238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.578238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.578238 (E_RNA)
where:
Base-Base interactions energy: -133.679
where: short stacking energy: -64.637
Base-Backbone interact. energy: 0.457
local terms energy: -83.356080
where:
bonds (distance) C4'-P energy: -16.517
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -15.023
flat angles P-C4'-P energy: -13.449
tors. eta vs tors. theta energy: -20.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -201.108077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.108077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.108077 (E_RNA)
where:
Base-Base interactions energy: -133.788
where: short stacking energy: -60.122
Base-Backbone interact. energy: -0.490
local terms energy: -66.830362
where:
bonds (distance) C4'-P energy: -10.576
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -14.698
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -15.871
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: 4
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -190.390597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.390597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.390597 (E_RNA)
where:
Base-Base interactions energy: -131.278
where: short stacking energy: -50.088
Base-Backbone interact. energy: 0.065
local terms energy: -59.177868
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -12.005
flat angles C4'-P-C4' energy: -11.053
flat angles P-C4'-P energy: -9.755
tors. eta vs tors. theta energy: -11.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -164.966347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.966347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.966347 (E_RNA)
where:
Base-Base interactions energy: -101.833
where: short stacking energy: -57.351
Base-Backbone interact. energy: -0.041
local terms energy: -63.092504
where:
bonds (distance) C4'-P energy: -11.631
bonds (distance) P-C4' energy: -13.828
flat angles C4'-P-C4' energy: -11.281
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -15.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -168.801411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.801411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.801411 (E_RNA)
where:
Base-Base interactions energy: -100.828
where: short stacking energy: -65.409
Base-Backbone interact. energy: -2.317
local terms energy: -65.656404
where:
bonds (distance) C4'-P energy: -12.365
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -10.438
flat angles P-C4'-P energy: -10.721
tors. eta vs tors. theta energy: -15.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -119.953564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.953564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.953564 (E_RNA)
where:
Base-Base interactions energy: -55.662
where: short stacking energy: -43.999
Base-Backbone interact. energy: 0.124
local terms energy: -64.415976
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -15.175
flat angles C4'-P-C4' energy: -15.348
flat angles P-C4'-P energy: -11.797
tors. eta vs tors. theta energy: -9.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -90.443358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.443358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.443358 (E_RNA)
where:
Base-Base interactions energy: -47.167
where: short stacking energy: -31.190
Base-Backbone interact. energy: 0.378
local terms energy: -43.654380
where:
bonds (distance) C4'-P energy: -11.415
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -15.841
flat angles P-C4'-P energy: -0.521
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: 8, replica: 8
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -90.538391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.538391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.538391 (E_RNA)
where:
Base-Base interactions energy: -39.895
where: short stacking energy: -39.895
Base-Backbone interact. energy: -0.399
local terms energy: -50.244517
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -11.220
flat angles C4'-P-C4' energy: -15.769
flat angles P-C4'-P energy: -6.165
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: 9, replica: 6
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -74.560982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.560982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.560982 (E_RNA)
where:
Base-Base interactions energy: -26.209
where: short stacking energy: -23.554
Base-Backbone interact. energy: 0.804
local terms energy: -49.156055
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -10.804
flat angles C4'-P-C4' energy: -8.432
flat angles P-C4'-P energy: -10.325
tors. eta vs tors. theta energy: -4.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -75.387407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.387407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.387407 (E_RNA)
where:
Base-Base interactions energy: -29.462
where: short stacking energy: -18.519
Base-Backbone interact. energy: -0.067
local terms energy: -45.857665
where:
bonds (distance) C4'-P energy: -14.410
bonds (distance) P-C4' energy: -7.901
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -7.754
tors. eta vs tors. theta energy: -0.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -222.149845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.149845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.149845 (E_RNA)
where:
Base-Base interactions energy: -144.602
where: short stacking energy: -61.460
Base-Backbone interact. energy: -0.139
local terms energy: -77.408293
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -14.397
flat angles C4'-P-C4' energy: -15.985
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: -20.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -209.532280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.532280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.532280 (E_RNA)
where:
Base-Base interactions energy: -132.767
where: short stacking energy: -56.123
Base-Backbone interact. energy: -0.504
local terms energy: -76.261384
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -16.902
flat angles C4'-P-C4' energy: -18.101
flat angles P-C4'-P energy: -13.758
tors. eta vs tors. theta energy: -11.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -180.502730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.502730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.502730 (E_RNA)
where:
Base-Base interactions energy: -110.800
where: short stacking energy: -71.460
Base-Backbone interact. energy: -0.006
local terms energy: -69.696599
where:
bonds (distance) C4'-P energy: -10.021
bonds (distance) P-C4' energy: -14.471
flat angles C4'-P-C4' energy: -17.934
flat angles P-C4'-P energy: -11.636
tors. eta vs tors. theta energy: -15.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -166.594511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.594511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.594511 (E_RNA)
where:
Base-Base interactions energy: -105.496
where: short stacking energy: -47.897
Base-Backbone interact. energy: -0.130
local terms energy: -60.968590
where:
bonds (distance) C4'-P energy: -10.015
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: -10.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -159.215882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.215882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.215882 (E_RNA)
where:
Base-Base interactions energy: -98.237
where: short stacking energy: -57.521
Base-Backbone interact. energy: 0.245
local terms energy: -61.224406
where:
bonds (distance) C4'-P energy: -17.542
bonds (distance) P-C4' energy: -11.127
flat angles C4'-P-C4' energy: -12.085
flat angles P-C4'-P energy: -6.428
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: 6, replica: 10
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -117.916687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.916687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.916687 (E_RNA)
where:
Base-Base interactions energy: -64.848
where: short stacking energy: -42.443
Base-Backbone interact. energy: -1.333
local terms energy: -51.735558
where:
bonds (distance) C4'-P energy: -10.070
bonds (distance) P-C4' energy: -12.090
flat angles C4'-P-C4' energy: -11.983
flat angles P-C4'-P energy: -12.405
tors. eta vs tors. theta energy: -5.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -99.981980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.981980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.981980 (E_RNA)
where:
Base-Base interactions energy: -49.336
where: short stacking energy: -27.272
Base-Backbone interact. energy: -0.331
local terms energy: -50.314995
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -14.654
flat angles C4'-P-C4' energy: -14.538
flat angles P-C4'-P energy: -3.970
tors. eta vs tors. theta energy: -3.344
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: 6
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -88.421087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.421087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.421087 (E_RNA)
where:
Base-Base interactions energy: -36.554
where: short stacking energy: -34.175
Base-Backbone interact. energy: -0.091
local terms energy: -51.776111
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -9.273
flat angles C4'-P-C4' energy: -14.871
flat angles P-C4'-P energy: -7.510
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: 9, replica: 8
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -84.294912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.294912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.294912 (E_RNA)
where:
Base-Base interactions energy: -33.271
where: short stacking energy: -28.393
Base-Backbone interact. energy: -0.103
local terms energy: -50.921100
where:
bonds (distance) C4'-P energy: -10.960
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -12.942
flat angles P-C4'-P energy: -7.972
tors. eta vs tors. theta energy: -4.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -98.188607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.188607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.188607 (E_RNA)
where:
Base-Base interactions energy: -56.669
where: short stacking energy: -30.226
Base-Backbone interact. energy: -0.445
local terms energy: -41.075244
where:
bonds (distance) C4'-P energy: -8.999
bonds (distance) P-C4' energy: -15.932
flat angles C4'-P-C4' energy: -9.395
flat angles P-C4'-P energy: -8.838
tors. eta vs tors. theta energy: 2.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -222.451312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.451312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.451312 (E_RNA)
where:
Base-Base interactions energy: -139.777
where: short stacking energy: -67.633
Base-Backbone interact. energy: -0.001
local terms energy: -82.673892
where:
bonds (distance) C4'-P energy: -16.542
bonds (distance) P-C4' energy: -13.989
flat angles C4'-P-C4' energy: -17.661
flat angles P-C4'-P energy: -13.605
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: 2, replica: 4
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -208.269152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.269152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.269152 (E_RNA)
where:
Base-Base interactions energy: -144.089
where: short stacking energy: -62.337
Base-Backbone interact. energy: -0.028
local terms energy: -64.152599
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -10.484
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -12.913
tors. eta vs tors. theta energy: -11.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -175.045327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.045327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.045327 (E_RNA)
where:
Base-Base interactions energy: -111.259
where: short stacking energy: -45.930
Base-Backbone interact. energy: -0.146
local terms energy: -63.640795
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -17.080
flat angles C4'-P-C4' energy: -14.695
flat angles P-C4'-P energy: -5.674
tors. eta vs tors. theta energy: -12.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -154.683498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.683498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.683498 (E_RNA)
where:
Base-Base interactions energy: -95.813
where: short stacking energy: -57.914
Base-Backbone interact. energy: -0.076
local terms energy: -58.794842
where:
bonds (distance) C4'-P energy: -11.341
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -11.559
flat angles P-C4'-P energy: -9.963
tors. eta vs tors. theta energy: -7.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -158.760378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.760378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.760378 (E_RNA)
where:
Base-Base interactions energy: -88.297
where: short stacking energy: -45.235
Base-Backbone interact. energy: -0.766
local terms energy: -69.698001
where:
bonds (distance) C4'-P energy: -15.559
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -7.227
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: 6, replica: 10
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -106.585276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.585276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.585276 (E_RNA)
where:
Base-Base interactions energy: -42.835
where: short stacking energy: -42.835
Base-Backbone interact. energy: -0.394
local terms energy: -63.356018
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -14.620
flat angles P-C4'-P energy: -10.430
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: 7, replica: 5
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -114.205007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.205007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.205007 (E_RNA)
where:
Base-Base interactions energy: -58.158
where: short stacking energy: -27.661
Base-Backbone interact. energy: -1.825
local terms energy: -54.221646
where:
bonds (distance) C4'-P energy: -13.642
bonds (distance) P-C4' energy: -17.350
flat angles C4'-P-C4' energy: -11.129
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: -2.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -97.203631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.203631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.203631 (E_RNA)
where:
Base-Base interactions energy: -47.809
where: short stacking energy: -47.809
Base-Backbone interact. energy: -0.130
local terms energy: -49.264050
where:
bonds (distance) C4'-P energy: -9.772
bonds (distance) P-C4' energy: -12.110
flat angles C4'-P-C4' energy: -10.655
flat angles P-C4'-P energy: -6.879
tors. eta vs tors. theta energy: -9.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -87.949352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.949352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.949352 (E_RNA)
where:
Base-Base interactions energy: -37.031
where: short stacking energy: -31.511
Base-Backbone interact. energy: -0.059
local terms energy: -50.858567
where:
bonds (distance) C4'-P energy: -11.966
bonds (distance) P-C4' energy: -12.747
flat angles C4'-P-C4' energy: -12.397
flat angles P-C4'-P energy: -7.620
tors. eta vs tors. theta energy: -6.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -84.030795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.030795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.030795 (E_RNA)
where:
Base-Base interactions energy: -34.743
where: short stacking energy: -31.804
Base-Backbone interact. energy: -0.687
local terms energy: -48.601217
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -14.105
flat angles C4'-P-C4' energy: -13.240
flat angles P-C4'-P energy: -1.195
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: 1, replica: 9
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -205.600810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.600810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.600810 (E_RNA)
where:
Base-Base interactions energy: -133.559
where: short stacking energy: -53.419
Base-Backbone interact. energy: -0.402
local terms energy: -71.639400
where:
bonds (distance) C4'-P energy: -16.312
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -10.921
flat angles P-C4'-P energy: -10.689
tors. eta vs tors. theta energy: -18.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -207.697590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.697590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.697590 (E_RNA)
where:
Base-Base interactions energy: -143.644
where: short stacking energy: -57.581
Base-Backbone interact. energy: 0.038
local terms energy: -64.090957
where:
bonds (distance) C4'-P energy: -9.817
bonds (distance) P-C4' energy: -16.695
flat angles C4'-P-C4' energy: -15.033
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -12.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -195.574631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.574631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.574631 (E_RNA)
where:
Base-Base interactions energy: -128.401
where: short stacking energy: -55.455
Base-Backbone interact. energy: -0.223
local terms energy: -66.950690
where:
bonds (distance) C4'-P energy: -14.195
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -11.896
flat angles P-C4'-P energy: -9.002
tors. eta vs tors. theta energy: -18.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -174.492958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.492958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.492958 (E_RNA)
where:
Base-Base interactions energy: -109.225
where: short stacking energy: -49.152
Base-Backbone interact. energy: -0.065
local terms energy: -65.202509
where:
bonds (distance) C4'-P energy: -9.619
bonds (distance) P-C4' energy: -12.528
flat angles C4'-P-C4' energy: -16.855
flat angles P-C4'-P energy: -11.313
tors. eta vs tors. theta energy: -14.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -160.393218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.393218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.393218 (E_RNA)
where:
Base-Base interactions energy: -90.770
where: short stacking energy: -57.153
Base-Backbone interact. energy: -0.040
local terms energy: -69.583475
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -15.056
flat angles C4'-P-C4' energy: -15.880
flat angles P-C4'-P energy: -9.795
tors. eta vs tors. theta energy: -16.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -141.485963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.485963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.485963 (E_RNA)
where:
Base-Base interactions energy: -79.580
where: short stacking energy: -50.022
Base-Backbone interact. energy: -0.959
local terms energy: -60.946766
where:
bonds (distance) C4'-P energy: -10.389
bonds (distance) P-C4' energy: -12.015
flat angles C4'-P-C4' energy: -17.005
flat angles P-C4'-P energy: -11.081
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: 7, replica: 10
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -97.228520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.228520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.228520 (E_RNA)
where:
Base-Base interactions energy: -36.024
where: short stacking energy: -36.024
Base-Backbone interact. energy: -0.060
local terms energy: -61.145279
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -10.214
flat angles P-C4'-P energy: -11.054
tors. eta vs tors. theta energy: -9.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -84.925111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.925111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.925111 (E_RNA)
where:
Base-Base interactions energy: -29.202
where: short stacking energy: -29.688
Base-Backbone interact. energy: -0.155
local terms energy: -55.568151
where:
bonds (distance) C4'-P energy: -11.580
bonds (distance) P-C4' energy: -12.290
flat angles C4'-P-C4' energy: -12.322
flat angles P-C4'-P energy: -11.968
tors. eta vs tors. theta energy: -7.409
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: 6
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -82.929795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.929795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.929795 (E_RNA)
where:
Base-Base interactions energy: -31.677
where: short stacking energy: -28.652
Base-Backbone interact. energy: -0.161
local terms energy: -51.092160
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -9.509
flat angles C4'-P-C4' energy: -13.225
flat angles P-C4'-P energy: -9.717
tors. eta vs tors. theta energy: -2.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -78.377040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.377040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.377040 (E_RNA)
where:
Base-Base interactions energy: -25.229
where: short stacking energy: -25.229
Base-Backbone interact. energy: -0.208
local terms energy: -52.940556
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -14.887
flat angles P-C4'-P energy: -7.814
tors. eta vs tors. theta energy: -3.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -208.568553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.568553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.568553 (E_RNA)
where:
Base-Base interactions energy: -136.777
where: short stacking energy: -56.604
Base-Backbone interact. energy: -0.474
local terms energy: -71.317413
where:
bonds (distance) C4'-P energy: -16.550
bonds (distance) P-C4' energy: -17.216
flat angles C4'-P-C4' energy: -16.467
flat angles P-C4'-P energy: -9.417
tors. eta vs tors. theta energy: -11.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -202.132637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.132637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.132637 (E_RNA)
where:
Base-Base interactions energy: -133.136
where: short stacking energy: -60.059
Base-Backbone interact. energy: -0.477
local terms energy: -68.519819
where:
bonds (distance) C4'-P energy: -8.631
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -13.291
flat angles P-C4'-P energy: -12.944
tors. eta vs tors. theta energy: -17.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -199.454947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.454947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.454947 (E_RNA)
where:
Base-Base interactions energy: -138.978
where: short stacking energy: -52.433
Base-Backbone interact. energy: -0.104
local terms energy: -60.373265
where:
bonds (distance) C4'-P energy: -12.466
bonds (distance) P-C4' energy: -13.656
flat angles C4'-P-C4' energy: -13.494
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -11.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -163.131837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.131837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.131837 (E_RNA)
where:
Base-Base interactions energy: -99.082
where: short stacking energy: -59.262
Base-Backbone interact. energy: -0.143
local terms energy: -63.906715
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -10.289
flat angles C4'-P-C4' energy: -15.437
flat angles P-C4'-P energy: -13.869
tors. eta vs tors. theta energy: -11.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -159.968411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.968411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.968411 (E_RNA)
where:
Base-Base interactions energy: -99.382
where: short stacking energy: -51.913
Base-Backbone interact. energy: -0.426
local terms energy: -60.159960
where:
bonds (distance) C4'-P energy: -11.011
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -16.564
flat angles P-C4'-P energy: -6.831
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: 3
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -133.572593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.572593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.572593 (E_RNA)
where:
Base-Base interactions energy: -82.387
where: short stacking energy: -42.615
Base-Backbone interact. energy: -0.756
local terms energy: -50.429200
where:
bonds (distance) C4'-P energy: -11.606
bonds (distance) P-C4' energy: -12.857
flat angles C4'-P-C4' energy: -11.600
flat angles P-C4'-P energy: -10.930
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: 10
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -91.616750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.616750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.616750 (E_RNA)
where:
Base-Base interactions energy: -34.392
where: short stacking energy: -32.007
Base-Backbone interact. energy: -0.238
local terms energy: -56.986385
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -15.786
flat angles C4'-P-C4' energy: -14.672
flat angles P-C4'-P energy: -5.118
tors. eta vs tors. theta energy: -7.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -93.652808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.652808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.652808 (E_RNA)
where:
Base-Base interactions energy: -45.353
where: short stacking energy: -32.021
Base-Backbone interact. energy: -0.079
local terms energy: -48.220617
where:
bonds (distance) C4'-P energy: -13.456
bonds (distance) P-C4' energy: -17.927
flat angles C4'-P-C4' energy: -6.048
flat angles P-C4'-P energy: -10.420
tors. eta vs tors. theta energy: -0.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -82.013539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.013539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.013539 (E_RNA)
where:
Base-Base interactions energy: -35.439
where: short stacking energy: -25.100
Base-Backbone interact. energy: -0.370
local terms energy: -46.204288
where:
bonds (distance) C4'-P energy: -11.296
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -12.748
flat angles P-C4'-P energy: -8.850
tors. eta vs tors. theta energy: -0.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -75.737018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.737018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.737018 (E_RNA)
where:
Base-Base interactions energy: -33.667
where: short stacking energy: -25.407
Base-Backbone interact. energy: -0.151
local terms energy: -41.918915
where:
bonds (distance) C4'-P energy: -14.023
bonds (distance) P-C4' energy: -15.133
flat angles C4'-P-C4' energy: -11.569
flat angles P-C4'-P energy: -0.931
tors. eta vs tors. theta energy: -0.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -210.794389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.794389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.794389 (E_RNA)
where:
Base-Base interactions energy: -143.347
where: short stacking energy: -59.068
Base-Backbone interact. energy: -0.395
local terms energy: -67.052448
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -12.826
flat angles P-C4'-P energy: -8.808
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: 2, replica: 7
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -204.956556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.956556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.956556 (E_RNA)
where:
Base-Base interactions energy: -137.883
where: short stacking energy: -57.518
Base-Backbone interact. energy: -0.017
local terms energy: -67.056769
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -4.871
flat angles C4'-P-C4' energy: -15.397
flat angles P-C4'-P energy: -12.613
tors. eta vs tors. theta energy: -17.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -202.329592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.329592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.329592 (E_RNA)
where:
Base-Base interactions energy: -129.538
where: short stacking energy: -63.635
Base-Backbone interact. energy: -0.224
local terms energy: -72.567737
where:
bonds (distance) C4'-P energy: -13.636
bonds (distance) P-C4' energy: -11.627
flat angles C4'-P-C4' energy: -15.000
flat angles P-C4'-P energy: -12.503
tors. eta vs tors. theta energy: -19.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -167.020506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.020506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.020506 (E_RNA)
where:
Base-Base interactions energy: -115.150
where: short stacking energy: -43.956
Base-Backbone interact. energy: 0.113
local terms energy: -51.983293
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -13.044
flat angles P-C4'-P energy: -6.517
tors. eta vs tors. theta energy: -3.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -158.761879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.761879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.761879 (E_RNA)
where:
Base-Base interactions energy: -99.630
where: short stacking energy: -57.335
Base-Backbone interact. energy: -0.103
local terms energy: -59.028852
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -5.965
flat angles P-C4'-P energy: -8.836
tors. eta vs tors. theta energy: -16.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -93.207714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.207714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.207714 (E_RNA)
where:
Base-Base interactions energy: -38.688
where: short stacking energy: -31.046
Base-Backbone interact. energy: -2.539
local terms energy: -51.981400
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -12.567
flat angles P-C4'-P energy: -6.849
tors. eta vs tors. theta energy: -2.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -89.571778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.571778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.571778 (E_RNA)
where:
Base-Base interactions energy: -42.439
where: short stacking energy: -28.436
Base-Backbone interact. energy: 0.711
local terms energy: -47.844000
where:
bonds (distance) C4'-P energy: -11.622
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -6.658
flat angles P-C4'-P energy: -6.158
tors. eta vs tors. theta energy: -6.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -90.489568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.489568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.489568 (E_RNA)
where:
Base-Base interactions energy: -40.472
where: short stacking energy: -38.544
Base-Backbone interact. energy: -0.631
local terms energy: -49.385713
where:
bonds (distance) C4'-P energy: -12.158
bonds (distance) P-C4' energy: -15.235
flat angles C4'-P-C4' energy: -10.739
flat angles P-C4'-P energy: -7.050
tors. eta vs tors. theta energy: -4.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -88.567971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.567971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.567971 (E_RNA)
where:
Base-Base interactions energy: -43.559
where: short stacking energy: -43.559
Base-Backbone interact. energy: 0.215
local terms energy: -45.223583
where:
bonds (distance) C4'-P energy: -7.852
bonds (distance) P-C4' energy: -10.394
flat angles C4'-P-C4' energy: -14.592
flat angles P-C4'-P energy: -8.660
tors. eta vs tors. theta energy: -3.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -83.942265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.942265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.942265 (E_RNA)
where:
Base-Base interactions energy: -38.558
where: short stacking energy: -38.558
Base-Backbone interact. energy: -0.002
local terms energy: -45.381754
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -12.420
flat angles P-C4'-P energy: -3.730
tors. eta vs tors. theta energy: -3.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -206.211936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.211936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.211936 (E_RNA)
where:
Base-Base interactions energy: -136.504
where: short stacking energy: -54.381
Base-Backbone interact. energy: 0.168
local terms energy: -69.876751
where:
bonds (distance) C4'-P energy: -11.784
bonds (distance) P-C4' energy: -12.734
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -11.394
tors. eta vs tors. theta energy: -18.316
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: 4
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -202.861104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.861104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.861104 (E_RNA)
where:
Base-Base interactions energy: -135.605
where: short stacking energy: -55.175
Base-Backbone interact. energy: -0.191
local terms energy: -67.065399
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -16.032
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -9.641
tors. eta vs tors. theta energy: -11.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -208.134117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.134117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.134117 (E_RNA)
where:
Base-Base interactions energy: -142.970
where: short stacking energy: -62.905
Base-Backbone interact. energy: 0.593
local terms energy: -65.756362
where:
bonds (distance) C4'-P energy: -9.892
bonds (distance) P-C4' energy: -11.625
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -19.387
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: 5
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -150.786387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.786387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.786387 (E_RNA)
where:
Base-Base interactions energy: -92.464
where: short stacking energy: -42.316
Base-Backbone interact. energy: 0.516
local terms energy: -58.838708
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -15.577
flat angles C4'-P-C4' energy: -11.439
flat angles P-C4'-P energy: -8.671
tors. eta vs tors. theta energy: -6.109
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: 2
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -158.350607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.350607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.350607 (E_RNA)
where:
Base-Base interactions energy: -100.553
where: short stacking energy: -41.097
Base-Backbone interact. energy: -0.024
local terms energy: -57.772962
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -12.613
flat angles P-C4'-P energy: -11.152
tors. eta vs tors. theta energy: -4.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -84.572425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.572425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.572425 (E_RNA)
where:
Base-Base interactions energy: -34.982
where: short stacking energy: -26.488
Base-Backbone interact. energy: -0.125
local terms energy: -49.465348
where:
bonds (distance) C4'-P energy: -12.452
bonds (distance) P-C4' energy: -14.749
flat angles C4'-P-C4' energy: -11.237
flat angles P-C4'-P energy: -8.414
tors. eta vs tors. theta energy: -2.613
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: 330
Temperature: 1.200000
Total energy: -102.710336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.710336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.710336 (E_RNA)
where:
Base-Base interactions energy: -51.443
where: short stacking energy: -40.899
Base-Backbone interact. energy: -0.142
local terms energy: -51.125338
where:
bonds (distance) C4'-P energy: -6.913
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -13.477
flat angles P-C4'-P energy: -9.102
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: 3
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -81.399948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.399948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.399948 (E_RNA)
where:
Base-Base interactions energy: -37.280
where: short stacking energy: -17.825
Base-Backbone interact. energy: -0.476
local terms energy: -43.644511
where:
bonds (distance) C4'-P energy: -11.479
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -5.378
tors. eta vs tors. theta energy: 3.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -78.916063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.916063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.916063 (E_RNA)
where:
Base-Base interactions energy: -33.851
where: short stacking energy: -27.123
Base-Backbone interact. energy: -0.609
local terms energy: -44.455564
where:
bonds (distance) C4'-P energy: -9.644
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -4.962
flat angles P-C4'-P energy: -9.097
tors. eta vs tors. theta energy: -4.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -75.722657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.722657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.722657 (E_RNA)
where:
Base-Base interactions energy: -25.486
where: short stacking energy: -25.486
Base-Backbone interact. energy: 0.040
local terms energy: -50.276636
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -13.092
flat angles C4'-P-C4' energy: -10.365
flat angles P-C4'-P energy: -8.318
tors. eta vs tors. theta energy: -6.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -201.692408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.692408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.692408 (E_RNA)
where:
Base-Base interactions energy: -127.050
where: short stacking energy: -62.371
Base-Backbone interact. energy: -0.022
local terms energy: -74.620465
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -16.621
flat angles P-C4'-P energy: -12.860
tors. eta vs tors. theta energy: -14.747
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: 331
Temperature: 0.950000
Total energy: -208.559819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.559819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.559819 (E_RNA)
where:
Base-Base interactions energy: -135.010
where: short stacking energy: -67.639
Base-Backbone interact. energy: 0.049
local terms energy: -73.599341
where:
bonds (distance) C4'-P energy: -9.456
bonds (distance) P-C4' energy: -15.292
flat angles C4'-P-C4' energy: -14.533
flat angles P-C4'-P energy: -12.868
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: 3, replica: 4
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -197.515739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.515739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.515739 (E_RNA)
where:
Base-Base interactions energy: -130.532
where: short stacking energy: -58.723
Base-Backbone interact. energy: 0.396
local terms energy: -67.380120
where:
bonds (distance) C4'-P energy: -10.082
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -16.902
flat angles P-C4'-P energy: -12.767
tors. eta vs tors. theta energy: -11.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -159.163536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.163536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.163536 (E_RNA)
where:
Base-Base interactions energy: -93.581
where: short stacking energy: -49.192
Base-Backbone interact. energy: -0.476
local terms energy: -65.106754
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -17.165
flat angles C4'-P-C4' energy: -15.075
flat angles P-C4'-P energy: -7.614
tors. eta vs tors. theta energy: -11.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -151.598454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.598454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.598454 (E_RNA)
where:
Base-Base interactions energy: -93.652
where: short stacking energy: -40.745
Base-Backbone interact. energy: -1.735
local terms energy: -56.211167
where:
bonds (distance) C4'-P energy: -9.064
bonds (distance) P-C4' energy: -15.331
flat angles C4'-P-C4' energy: -17.350
flat angles P-C4'-P energy: -6.989
tors. eta vs tors. theta energy: -7.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -99.543179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.543179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.543179 (E_RNA)
where:
Base-Base interactions energy: -40.118
where: short stacking energy: -35.554
Base-Backbone interact. energy: -1.014
local terms energy: -58.411322
where:
bonds (distance) C4'-P energy: -11.288
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -13.770
flat angles P-C4'-P energy: -14.196
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: 7, replica: 10
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -95.849666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.849666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.849666 (E_RNA)
where:
Base-Base interactions energy: -36.416
where: short stacking energy: -24.483
Base-Backbone interact. energy: -0.319
local terms energy: -59.114304
where:
bonds (distance) C4'-P energy: -11.018
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -11.852
flat angles P-C4'-P energy: -9.415
tors. eta vs tors. theta energy: -8.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -83.596552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.596552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.596552 (E_RNA)
where:
Base-Base interactions energy: -35.663
where: short stacking energy: -24.225
Base-Backbone interact. energy: -0.292
local terms energy: -47.642326
where:
bonds (distance) C4'-P energy: -12.302
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -10.899
flat angles P-C4'-P energy: -6.675
tors. eta vs tors. theta energy: -0.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -107.540225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.540225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.540225 (E_RNA)
where:
Base-Base interactions energy: -55.570
where: short stacking energy: -41.675
Base-Backbone interact. energy: -0.050
local terms energy: -51.920468
where:
bonds (distance) C4'-P energy: -6.813
bonds (distance) P-C4' energy: -12.056
flat angles C4'-P-C4' energy: -11.459
flat angles P-C4'-P energy: -10.313
tors. eta vs tors. theta energy: -11.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -76.636185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.636185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.636185 (E_RNA)
where:
Base-Base interactions energy: -24.207
where: short stacking energy: -11.864
Base-Backbone interact. energy: -0.541
local terms energy: -51.888068
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -10.813
tors. eta vs tors. theta energy: 1.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -211.784147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.784147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.784147 (E_RNA)
where:
Base-Base interactions energy: -139.880
where: short stacking energy: -63.111
Base-Backbone interact. energy: -0.109
local terms energy: -71.795606
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -15.510
flat angles C4'-P-C4' energy: -18.146
flat angles P-C4'-P energy: -8.934
tors. eta vs tors. theta energy: -16.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -188.591917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.591917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.591917 (E_RNA)
where:
Base-Base interactions energy: -120.127
where: short stacking energy: -60.771
Base-Backbone interact. energy: -0.029
local terms energy: -68.435987
where:
bonds (distance) C4'-P energy: -13.785
bonds (distance) P-C4' energy: -10.960
flat angles C4'-P-C4' energy: -15.802
flat angles P-C4'-P energy: -12.666
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: 2
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -167.534479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.534479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.534479 (E_RNA)
where:
Base-Base interactions energy: -98.364
where: short stacking energy: -50.611
Base-Backbone interact. energy: -0.210
local terms energy: -68.959958
where:
bonds (distance) C4'-P energy: -16.263
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -15.568
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: -10.495
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: 4, replica: 4
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -194.778735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.778735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.778735 (E_RNA)
where:
Base-Base interactions energy: -132.544
where: short stacking energy: -62.880
Base-Backbone interact. energy: -0.143
local terms energy: -62.091954
where:
bonds (distance) C4'-P energy: -11.275
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -6.082
tors. eta vs tors. theta energy: -13.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -156.347052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.347052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.347052 (E_RNA)
where:
Base-Base interactions energy: -96.691
where: short stacking energy: -47.531
Base-Backbone interact. energy: -0.207
local terms energy: -59.449300
where:
bonds (distance) C4'-P energy: -10.254
bonds (distance) P-C4' energy: -11.424
flat angles C4'-P-C4' energy: -15.819
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: -10.128
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: 1
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -98.873555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.873555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.873555 (E_RNA)
where:
Base-Base interactions energy: -33.846
where: short stacking energy: -33.846
Base-Backbone interact. energy: -0.021
local terms energy: -65.007236
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -11.460
flat angles P-C4'-P energy: -11.585
tors. eta vs tors. theta energy: -10.197
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: 6
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -100.923248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.923248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.923248 (E_RNA)
where:
Base-Base interactions energy: -57.287
where: short stacking energy: -35.750
Base-Backbone interact. energy: 1.332
local terms energy: -44.968063
where:
bonds (distance) C4'-P energy: -10.783
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -12.558
flat angles P-C4'-P energy: -7.699
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: 8, replica: 10
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -79.281445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.281445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.281445 (E_RNA)
where:
Base-Base interactions energy: -35.789
where: short stacking energy: -20.296
Base-Backbone interact. energy: -0.277
local terms energy: -43.215559
where:
bonds (distance) C4'-P energy: -10.065
bonds (distance) P-C4' energy: -14.305
flat angles C4'-P-C4' energy: -9.583
flat angles P-C4'-P energy: -7.901
tors. eta vs tors. theta energy: -1.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -86.218865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.218865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.218865 (E_RNA)
where:
Base-Base interactions energy: -30.645
where: short stacking energy: -30.573
Base-Backbone interact. energy: -0.036
local terms energy: -55.537522
where:
bonds (distance) C4'-P energy: -13.831
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -12.973
flat angles P-C4'-P energy: -7.981
tors. eta vs tors. theta energy: -3.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -75.845772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.845772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.845772 (E_RNA)
where:
Base-Base interactions energy: -24.497
where: short stacking energy: -21.535
Base-Backbone interact. energy: -0.011
local terms energy: -51.337899
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -8.865
flat angles P-C4'-P energy: -7.510
tors. eta vs tors. theta energy: -3.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -214.889804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.889804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.889804 (E_RNA)
where:
Base-Base interactions energy: -132.210
where: short stacking energy: -75.050
Base-Backbone interact. energy: -0.589
local terms energy: -82.090984
where:
bonds (distance) C4'-P energy: -14.979
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -16.647
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -24.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -202.615995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.615995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.615995 (E_RNA)
where:
Base-Base interactions energy: -130.201
where: short stacking energy: -58.374
Base-Backbone interact. energy: 0.021
local terms energy: -72.435569
where:
bonds (distance) C4'-P energy: -15.914
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -14.006
flat angles P-C4'-P energy: -8.589
tors. eta vs tors. theta energy: -16.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -184.388618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.388618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.388618 (E_RNA)
where:
Base-Base interactions energy: -118.304
where: short stacking energy: -56.541
Base-Backbone interact. energy: -0.017
local terms energy: -66.067301
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -15.081
flat angles C4'-P-C4' energy: -14.056
flat angles P-C4'-P energy: -12.825
tors. eta vs tors. theta energy: -11.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -207.331311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.331311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.331311 (E_RNA)
where:
Base-Base interactions energy: -148.036
where: short stacking energy: -61.293
Base-Backbone interact. energy: -0.170
local terms energy: -59.125364
where:
bonds (distance) C4'-P energy: -11.329
bonds (distance) P-C4' energy: -11.305
flat angles C4'-P-C4' energy: -14.507
flat angles P-C4'-P energy: -7.879
tors. eta vs tors. theta energy: -14.105
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: 5
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -157.423233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.423233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.423233 (E_RNA)
where:
Base-Base interactions energy: -96.945
where: short stacking energy: -55.046
Base-Backbone interact. energy: -0.908
local terms energy: -59.570668
where:
bonds (distance) C4'-P energy: -13.159
bonds (distance) P-C4' energy: -11.654
flat angles C4'-P-C4' energy: -13.803
flat angles P-C4'-P energy: -6.442
tors. eta vs tors. theta energy: -14.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -103.472176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.472176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.472176 (E_RNA)
where:
Base-Base interactions energy: -36.501
where: short stacking energy: -37.405
Base-Backbone interact. energy: 0.397
local terms energy: -67.368235
where:
bonds (distance) C4'-P energy: -13.729
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -10.788
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: 7, replica: 1
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -102.901068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.901068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.901068 (E_RNA)
where:
Base-Base interactions energy: -45.366
where: short stacking energy: -40.314
Base-Backbone interact. energy: -0.045
local terms energy: -57.489677
where:
bonds (distance) C4'-P energy: -12.638
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -14.045
flat angles P-C4'-P energy: -7.228
tors. eta vs tors. theta energy: -10.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -86.974632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.974632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.974632 (E_RNA)
where:
Base-Base interactions energy: -32.201
where: short stacking energy: -32.153
Base-Backbone interact. energy: 1.272
local terms energy: -56.045521
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -8.107
flat angles P-C4'-P energy: -11.985
tors. eta vs tors. theta energy: -5.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -84.397285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.397285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.397285 (E_RNA)
where:
Base-Base interactions energy: -30.475
where: short stacking energy: -22.269
Base-Backbone interact. energy: -0.776
local terms energy: -53.146120
where:
bonds (distance) C4'-P energy: -14.580
bonds (distance) P-C4' energy: -12.449
flat angles C4'-P-C4' energy: -12.474
flat angles P-C4'-P energy: -11.848
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: 3
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -73.049910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.049910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.049910 (E_RNA)
where:
Base-Base interactions energy: -31.210
where: short stacking energy: -31.210
Base-Backbone interact. energy: -0.254
local terms energy: -41.585865
where:
bonds (distance) C4'-P energy: -9.180
bonds (distance) P-C4' energy: -11.312
flat angles C4'-P-C4' energy: -10.325
flat angles P-C4'-P energy: -11.682
tors. eta vs tors. theta energy: 0.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -187.543018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.543018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.543018 (E_RNA)
where:
Base-Base interactions energy: -121.002
where: short stacking energy: -49.841
Base-Backbone interact. energy: -0.029
local terms energy: -66.511852
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -16.665
flat angles P-C4'-P energy: -11.100
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: 2, replica: 9
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -221.611718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.611718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.611718 (E_RNA)
where:
Base-Base interactions energy: -139.499
where: short stacking energy: -76.689
Base-Backbone interact. energy: -0.008
local terms energy: -82.104716
where:
bonds (distance) C4'-P energy: -15.381
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -15.842
flat angles P-C4'-P energy: -14.230
tors. eta vs tors. theta energy: -21.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -219.670523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.670523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.670523 (E_RNA)
where:
Base-Base interactions energy: -149.153
where: short stacking energy: -61.856
Base-Backbone interact. energy: -1.904
local terms energy: -68.612937
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -16.490
flat angles P-C4'-P energy: -6.165
tors. eta vs tors. theta energy: -11.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -193.809503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.809503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.809503 (E_RNA)
where:
Base-Base interactions energy: -113.139
where: short stacking energy: -61.322
Base-Backbone interact. energy: -0.004
local terms energy: -80.666496
where:
bonds (distance) C4'-P energy: -17.585
bonds (distance) P-C4' energy: -14.730
flat angles C4'-P-C4' energy: -17.216
flat angles P-C4'-P energy: -13.008
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: 5, replica: 5
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -151.884154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.884154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.884154 (E_RNA)
where:
Base-Base interactions energy: -90.295
where: short stacking energy: -56.619
Base-Backbone interact. energy: -0.022
local terms energy: -61.567046
where:
bonds (distance) C4'-P energy: -8.666
bonds (distance) P-C4' energy: -16.037
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -9.882
tors. eta vs tors. theta energy: -13.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -89.797937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.797937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.797937 (E_RNA)
where:
Base-Base interactions energy: -38.613
where: short stacking energy: -21.359
Base-Backbone interact. energy: -0.303
local terms energy: -50.881437
where:
bonds (distance) C4'-P energy: -15.093
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -12.342
flat angles P-C4'-P energy: -7.479
tors. eta vs tors. theta energy: -1.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -83.695543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.695543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.695543 (E_RNA)
where:
Base-Base interactions energy: -36.052
where: short stacking energy: -31.981
Base-Backbone interact. energy: 0.217
local terms energy: -47.861348
where:
bonds (distance) C4'-P energy: -15.590
bonds (distance) P-C4' energy: -16.884
flat angles C4'-P-C4' energy: -7.956
flat angles P-C4'-P energy: -6.328
tors. eta vs tors. theta energy: -1.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -99.783357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.783357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.783357 (E_RNA)
where:
Base-Base interactions energy: -45.421
where: short stacking energy: -21.048
Base-Backbone interact. energy: -0.527
local terms energy: -53.834856
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -12.172
flat angles C4'-P-C4' energy: -10.845
flat angles P-C4'-P energy: -12.529
tors. eta vs tors. theta energy: -2.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -77.904862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.904862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.904862 (E_RNA)
where:
Base-Base interactions energy: -32.243
where: short stacking energy: -19.895
Base-Backbone interact. energy: -0.401
local terms energy: -45.260690
where:
bonds (distance) C4'-P energy: -13.286
bonds (distance) P-C4' energy: -14.954
flat angles C4'-P-C4' energy: -11.703
flat angles P-C4'-P energy: -5.961
tors. eta vs tors. theta energy: 0.643
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: 334
Temperature: 1.350000
Total energy: -86.279315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.279315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.279315 (E_RNA)
where:
Base-Base interactions energy: -29.526
where: short stacking energy: -29.526
Base-Backbone interact. energy: -0.515
local terms energy: -56.237716
where:
bonds (distance) C4'-P energy: -14.796
bonds (distance) P-C4' energy: -13.995
flat angles C4'-P-C4' energy: -12.306
flat angles P-C4'-P energy: -9.753
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: 1, replica: 2
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -207.615614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.615614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.615614 (E_RNA)
where:
Base-Base interactions energy: -140.471
where: short stacking energy: -64.786
Base-Backbone interact. energy: -0.022
local terms energy: -67.122432
where:
bonds (distance) C4'-P energy: -12.665
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -15.909
flat angles P-C4'-P energy: -9.873
tors. eta vs tors. theta energy: -13.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -206.801247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.801247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.801247 (E_RNA)
where:
Base-Base interactions energy: -142.046
where: short stacking energy: -64.232
Base-Backbone interact. energy: -0.070
local terms energy: -64.685664
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -9.437
flat angles P-C4'-P energy: -7.612
tors. eta vs tors. theta energy: -14.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -198.287283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.287283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.287283 (E_RNA)
where:
Base-Base interactions energy: -126.659
where: short stacking energy: -63.257
Base-Backbone interact. energy: -0.217
local terms energy: -71.410854
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -12.387
flat angles C4'-P-C4' energy: -14.656
flat angles P-C4'-P energy: -10.028
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: 4, replica: 7
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -182.677552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.677552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.677552 (E_RNA)
where:
Base-Base interactions energy: -114.957
where: short stacking energy: -63.349
Base-Backbone interact. energy: -0.033
local terms energy: -67.687143
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -14.428
flat angles P-C4'-P energy: -11.711
tors. eta vs tors. theta energy: -13.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -160.851116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.851116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.851116 (E_RNA)
where:
Base-Base interactions energy: -92.553
where: short stacking energy: -50.400
Base-Backbone interact. energy: -0.106
local terms energy: -68.192215
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -15.654
flat angles C4'-P-C4' energy: -14.899
flat angles P-C4'-P energy: -8.243
tors. eta vs tors. theta energy: -15.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -115.556605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.556605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.556605 (E_RNA)
where:
Base-Base interactions energy: -51.895
where: short stacking energy: -50.327
Base-Backbone interact. energy: -0.152
local terms energy: -63.509433
where:
bonds (distance) C4'-P energy: -13.864
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -13.542
flat angles P-C4'-P energy: -6.598
tors. eta vs tors. theta energy: -13.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -104.546184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.546184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.546184 (E_RNA)
where:
Base-Base interactions energy: -54.121
where: short stacking energy: -28.635
Base-Backbone interact. energy: -1.275
local terms energy: -49.150795
where:
bonds (distance) C4'-P energy: -10.483
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -15.454
flat angles P-C4'-P energy: -3.200
tors. eta vs tors. theta energy: -4.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -98.387218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.387218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.387218 (E_RNA)
where:
Base-Base interactions energy: -47.382
where: short stacking energy: -28.672
Base-Backbone interact. energy: -0.137
local terms energy: -50.868042
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -13.819
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -3.260
tors. eta vs tors. theta energy: -3.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -78.137958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.137958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.137958 (E_RNA)
where:
Base-Base interactions energy: -30.697
where: short stacking energy: -30.697
Base-Backbone interact. energy: -0.181
local terms energy: -47.260617
where:
bonds (distance) C4'-P energy: -10.360
bonds (distance) P-C4' energy: -11.827
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -10.354
tors. eta vs tors. theta energy: 0.190
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: 10
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -79.308691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.308691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.308691 (E_RNA)
where:
Base-Base interactions energy: -23.669
where: short stacking energy: -9.633
Base-Backbone interact. energy: -0.226
local terms energy: -55.413804
where:
bonds (distance) C4'-P energy: -16.566
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -12.071
flat angles P-C4'-P energy: -10.644
tors. eta vs tors. theta energy: -2.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -209.834007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.834007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.834007 (E_RNA)
where:
Base-Base interactions energy: -141.878
where: short stacking energy: -59.842
Base-Backbone interact. energy: -0.128
local terms energy: -67.827231
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -14.607
flat angles C4'-P-C4' energy: -15.449
flat angles P-C4'-P energy: -11.070
tors. eta vs tors. theta energy: -11.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -208.089758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.089758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.089758 (E_RNA)
where:
Base-Base interactions energy: -145.946
where: short stacking energy: -60.957
Base-Backbone interact. energy: -0.061
local terms energy: -62.082870
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -14.308
flat angles C4'-P-C4' energy: -12.231
flat angles P-C4'-P energy: -11.355
tors. eta vs tors. theta energy: -10.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -197.582570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.582570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.582570 (E_RNA)
where:
Base-Base interactions energy: -133.398
where: short stacking energy: -62.118
Base-Backbone interact. energy: -0.036
local terms energy: -64.148301
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -14.086
flat angles C4'-P-C4' energy: -15.805
flat angles P-C4'-P energy: -8.046
tors. eta vs tors. theta energy: -14.126
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: 336
Temperature: 1.050000
Total energy: -204.022152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.022152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.022152 (E_RNA)
where:
Base-Base interactions energy: -128.985
where: short stacking energy: -63.810
Base-Backbone interact. energy: -0.068
local terms energy: -74.969359
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -16.938
flat angles P-C4'-P energy: -10.128
tors. eta vs tors. theta energy: -16.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -168.007138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.007138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.007138 (E_RNA)
where:
Base-Base interactions energy: -103.233
where: short stacking energy: -55.497
Base-Backbone interact. energy: 0.326
local terms energy: -65.099482
where:
bonds (distance) C4'-P energy: -9.425
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -15.330
flat angles P-C4'-P energy: -10.618
tors. eta vs tors. theta energy: -11.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -86.115163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.115163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.115163 (E_RNA)
where:
Base-Base interactions energy: -32.819
where: short stacking energy: -31.273
Base-Backbone interact. energy: 0.963
local terms energy: -54.258344
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -16.041
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -0.132
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: 7, replica: 6
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -98.934962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.934962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.934962 (E_RNA)
where:
Base-Base interactions energy: -43.325
where: short stacking energy: -38.307
Base-Backbone interact. energy: -0.057
local terms energy: -55.552406
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -13.589
flat angles P-C4'-P energy: -7.559
tors. eta vs tors. theta energy: -7.795
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: 8, replica: 3
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -90.405836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.405836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.405836 (E_RNA)
where:
Base-Base interactions energy: -41.065
where: short stacking energy: -37.795
Base-Backbone interact. energy: -0.145
local terms energy: -49.196414
where:
bonds (distance) C4'-P energy: -10.035
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -12.872
flat angles P-C4'-P energy: -6.839
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: 9, replica: 8
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -104.484886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.484886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.484886 (E_RNA)
where:
Base-Base interactions energy: -48.440
where: short stacking energy: -33.159
Base-Backbone interact. energy: -0.081
local terms energy: -55.963981
where:
bonds (distance) C4'-P energy: -11.594
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -12.153
flat angles P-C4'-P energy: -8.762
tors. eta vs tors. theta energy: -7.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -88.980349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.980349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.980349 (E_RNA)
where:
Base-Base interactions energy: -40.196
where: short stacking energy: -39.706
Base-Backbone interact. energy: -0.062
local terms energy: -48.722557
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -13.460
flat angles C4'-P-C4' energy: -12.742
flat angles P-C4'-P energy: -5.540
tors. eta vs tors. theta energy: -5.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -218.083217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.083217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.083217 (E_RNA)
where:
Base-Base interactions energy: -145.622
where: short stacking energy: -60.571
Base-Backbone interact. energy: -0.038
local terms energy: -72.423354
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -8.908
tors. eta vs tors. theta energy: -15.918
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: 337
Temperature: 0.950000
Total energy: -206.422476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.422476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.422476 (E_RNA)
where:
Base-Base interactions energy: -135.885
where: short stacking energy: -63.142
Base-Backbone interact. energy: -0.114
local terms energy: -70.422733
where:
bonds (distance) C4'-P energy: -15.131
bonds (distance) P-C4' energy: -14.918
flat angles C4'-P-C4' energy: -16.766
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -12.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -189.156138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.156138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.156138 (E_RNA)
where:
Base-Base interactions energy: -121.004
where: short stacking energy: -63.322
Base-Backbone interact. energy: -1.255
local terms energy: -66.897115
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -12.057
flat angles C4'-P-C4' energy: -15.281
flat angles P-C4'-P energy: -9.601
tors. eta vs tors. theta energy: -15.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -188.204171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.204171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.204171 (E_RNA)
where:
Base-Base interactions energy: -116.151
where: short stacking energy: -64.643
Base-Backbone interact. energy: 1.859
local terms energy: -73.912187
where:
bonds (distance) C4'-P energy: -15.423
bonds (distance) P-C4' energy: -13.896
flat angles C4'-P-C4' energy: -14.556
flat angles P-C4'-P energy: -10.143
tors. eta vs tors. theta energy: -19.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -155.485541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.485541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.485541 (E_RNA)
where:
Base-Base interactions energy: -92.887
where: short stacking energy: -36.095
Base-Backbone interact. energy: -1.308
local terms energy: -61.290876
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -10.977
flat angles P-C4'-P energy: -10.838
tors. eta vs tors. theta energy: -12.875
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: 6
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -163.210913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.210913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.210913 (E_RNA)
where:
Base-Base interactions energy: -97.150
where: short stacking energy: -50.477
Base-Backbone interact. energy: -0.261
local terms energy: -65.799904
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -12.176
flat angles C4'-P-C4' energy: -14.418
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: -12.973
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: 1
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -98.329491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.329491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.329491 (E_RNA)
where:
Base-Base interactions energy: -37.007
where: short stacking energy: -37.007
Base-Backbone interact. energy: -0.196
local terms energy: -61.126379
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -14.119
flat angles C4'-P-C4' energy: -11.044
flat angles P-C4'-P energy: -10.975
tors. eta vs tors. theta energy: -8.878
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: 8
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -84.997516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.997516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.997516 (E_RNA)
where:
Base-Base interactions energy: -36.316
where: short stacking energy: -18.995
Base-Backbone interact. energy: -0.398
local terms energy: -48.283608
where:
bonds (distance) C4'-P energy: -15.706
bonds (distance) P-C4' energy: -12.376
flat angles C4'-P-C4' energy: -14.279
flat angles P-C4'-P energy: -6.074
tors. eta vs tors. theta energy: 0.151
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: 3
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -89.370954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.370954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.370954 (E_RNA)
where:
Base-Base interactions energy: -34.481
where: short stacking energy: -35.385
Base-Backbone interact. energy: -0.119
local terms energy: -54.771055
where:
bonds (distance) C4'-P energy: -9.557
bonds (distance) P-C4' energy: -16.881
flat angles C4'-P-C4' energy: -12.409
flat angles P-C4'-P energy: -8.842
tors. eta vs tors. theta energy: -7.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -79.395410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.395410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.395410 (E_RNA)
where:
Base-Base interactions energy: -34.013
where: short stacking energy: -29.935
Base-Backbone interact. energy: 1.973
local terms energy: -47.355518
where:
bonds (distance) C4'-P energy: -8.936
bonds (distance) P-C4' energy: -14.092
flat angles C4'-P-C4' energy: -12.300
flat angles P-C4'-P energy: -4.767
tors. eta vs tors. theta energy: -7.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -219.873909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.873909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.873909 (E_RNA)
where:
Base-Base interactions energy: -159.669
where: short stacking energy: -64.658
Base-Backbone interact. energy: -0.146
local terms energy: -60.058501
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -12.437
flat angles C4'-P-C4' energy: -13.873
flat angles P-C4'-P energy: -8.791
tors. eta vs tors. theta energy: -12.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -205.344706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.344706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.344706 (E_RNA)
where:
Base-Base interactions energy: -135.975
where: short stacking energy: -57.464
Base-Backbone interact. energy: 1.228
local terms energy: -70.597944
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -13.157
flat angles P-C4'-P energy: -9.465
tors. eta vs tors. theta energy: -17.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -173.165374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.165374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.165374 (E_RNA)
where:
Base-Base interactions energy: -102.430
where: short stacking energy: -62.505
Base-Backbone interact. energy: -0.047
local terms energy: -70.688537
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -13.227
flat angles P-C4'-P energy: -9.660
tors. eta vs tors. theta energy: -15.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -187.478032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.478032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.478032 (E_RNA)
where:
Base-Base interactions energy: -122.025
where: short stacking energy: -57.864
Base-Backbone interact. energy: -0.009
local terms energy: -65.443895
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -14.566
flat angles C4'-P-C4' energy: -13.820
flat angles P-C4'-P energy: -5.042
tors. eta vs tors. theta energy: -18.579
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: 9
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -145.951261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.951261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.951261 (E_RNA)
where:
Base-Base interactions energy: -94.027
where: short stacking energy: -35.703
Base-Backbone interact. energy: -0.027
local terms energy: -51.897078
where:
bonds (distance) C4'-P energy: -11.744
bonds (distance) P-C4' energy: -11.809
flat angles C4'-P-C4' energy: -15.218
flat angles P-C4'-P energy: -4.926
tors. eta vs tors. theta energy: -8.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -143.856572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.856572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.856572 (E_RNA)
where:
Base-Base interactions energy: -87.548
where: short stacking energy: -51.527
Base-Backbone interact. energy: -0.078
local terms energy: -56.230824
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -9.468
flat angles P-C4'-P energy: -7.245
tors. eta vs tors. theta energy: -10.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -131.762321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.762321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.762321 (E_RNA)
where:
Base-Base interactions energy: -74.966
where: short stacking energy: -40.802
Base-Backbone interact. energy: -0.142
local terms energy: -56.654019
where:
bonds (distance) C4'-P energy: -9.546
bonds (distance) P-C4' energy: -16.349
flat angles C4'-P-C4' energy: -14.624
flat angles P-C4'-P energy: -9.872
tors. eta vs tors. theta energy: -6.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -86.432026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.432026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.432026 (E_RNA)
where:
Base-Base interactions energy: -33.794
where: short stacking energy: -31.650
Base-Backbone interact. energy: -0.110
local terms energy: -52.527483
where:
bonds (distance) C4'-P energy: -8.206
bonds (distance) P-C4' energy: -15.061
flat angles C4'-P-C4' energy: -8.574
flat angles P-C4'-P energy: -12.288
tors. eta vs tors. theta energy: -8.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -83.739429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.739429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.739429 (E_RNA)
where:
Base-Base interactions energy: -27.292
where: short stacking energy: -25.550
Base-Backbone interact. energy: 2.203
local terms energy: -58.650279
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -14.215
flat angles P-C4'-P energy: -11.319
tors. eta vs tors. theta energy: -3.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -79.472898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.472898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.472898 (E_RNA)
where:
Base-Base interactions energy: -28.014
where: short stacking energy: -27.408
Base-Backbone interact. energy: 0.532
local terms energy: -51.990781
where:
bonds (distance) C4'-P energy: -16.317
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -12.272
flat angles P-C4'-P energy: -13.348
tors. eta vs tors. theta energy: 2.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -227.881968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.881968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.881968 (E_RNA)
where:
Base-Base interactions energy: -161.061
where: short stacking energy: -69.886
Base-Backbone interact. energy: -0.381
local terms energy: -66.440093
where:
bonds (distance) C4'-P energy: -11.362
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -10.759
flat angles P-C4'-P energy: -12.516
tors. eta vs tors. theta energy: -16.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -195.752240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.752240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.752240 (E_RNA)
where:
Base-Base interactions energy: -127.977
where: short stacking energy: -49.545
Base-Backbone interact. energy: -0.722
local terms energy: -67.052832
where:
bonds (distance) C4'-P energy: -17.783
bonds (distance) P-C4' energy: -14.155
flat angles C4'-P-C4' energy: -13.528
flat angles P-C4'-P energy: -5.987
tors. eta vs tors. theta energy: -15.599
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: 5
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -168.975265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.975265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.975265 (E_RNA)
where:
Base-Base interactions energy: -102.209
where: short stacking energy: -64.602
Base-Backbone interact. energy: -0.042
local terms energy: -66.723812
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -12.548
flat angles C4'-P-C4' energy: -15.016
flat angles P-C4'-P energy: -9.318
tors. eta vs tors. theta energy: -14.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -148.665892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.665892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.665892 (E_RNA)
where:
Base-Base interactions energy: -90.043
where: short stacking energy: -33.768
Base-Backbone interact. energy: -0.409
local terms energy: -58.214022
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -13.989
flat angles C4'-P-C4' energy: -12.578
flat angles P-C4'-P energy: -8.840
tors. eta vs tors. theta energy: -7.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -174.937803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.937803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.937803 (E_RNA)
where:
Base-Base interactions energy: -109.818
where: short stacking energy: -51.423
Base-Backbone interact. energy: -0.454
local terms energy: -64.665856
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -12.777
flat angles C4'-P-C4' energy: -9.037
flat angles P-C4'-P energy: -12.827
tors. eta vs tors. theta energy: -13.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -163.848842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.848842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.848842 (E_RNA)
where:
Base-Base interactions energy: -110.432
where: short stacking energy: -52.091
Base-Backbone interact. energy: 0.526
local terms energy: -53.942258
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -11.530
flat angles C4'-P-C4' energy: -12.778
flat angles P-C4'-P energy: -6.928
tors. eta vs tors. theta energy: -8.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -130.674161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.674161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.674161 (E_RNA)
where:
Base-Base interactions energy: -79.791
where: short stacking energy: -36.952
Base-Backbone interact. energy: -0.328
local terms energy: -50.555495
where:
bonds (distance) C4'-P energy: -12.636
bonds (distance) P-C4' energy: -13.741
flat angles C4'-P-C4' energy: -13.173
flat angles P-C4'-P energy: -10.729
tors. eta vs tors. theta energy: -0.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -85.100482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.100482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.100482 (E_RNA)
where:
Base-Base interactions energy: -42.351
where: short stacking energy: -33.587
Base-Backbone interact. energy: -0.078
local terms energy: -42.671467
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -10.941
flat angles C4'-P-C4' energy: -9.081
flat angles P-C4'-P energy: -7.209
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: 339
Temperature: 1.300000
Total energy: -87.349701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.349701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.349701 (E_RNA)
where:
Base-Base interactions energy: -37.787
where: short stacking energy: -37.787
Base-Backbone interact. energy: -0.002
local terms energy: -49.561191
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -16.969
flat angles C4'-P-C4' energy: -3.107
flat angles P-C4'-P energy: -7.438
tors. eta vs tors. theta energy: -9.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -84.745484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.745484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.745484 (E_RNA)
where:
Base-Base interactions energy: -29.971
where: short stacking energy: -29.971
Base-Backbone interact. energy: -0.049
local terms energy: -54.725889
where:
bonds (distance) C4'-P energy: -11.285
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -14.045
flat angles P-C4'-P energy: -5.734
tors. eta vs tors. theta energy: -6.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -218.450079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.450079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.450079 (E_RNA)
where:
Base-Base interactions energy: -147.476
where: short stacking energy: -61.336
Base-Backbone interact. energy: -0.159
local terms energy: -70.815193
where:
bonds (distance) C4'-P energy: -17.585
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -8.530
tors. eta vs tors. theta energy: -13.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -201.355829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.355829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.355829 (E_RNA)
where:
Base-Base interactions energy: -125.460
where: short stacking energy: -65.709
Base-Backbone interact. energy: -0.020
local terms energy: -75.876256
where:
bonds (distance) C4'-P energy: -16.818
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -16.157
flat angles P-C4'-P energy: -11.616
tors. eta vs tors. theta energy: -16.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -145.761758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.761758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.761758 (E_RNA)
where:
Base-Base interactions energy: -87.282
where: short stacking energy: -44.633
Base-Backbone interact. energy: -0.145
local terms energy: -58.334242
where:
bonds (distance) C4'-P energy: -16.921
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -13.647
flat angles P-C4'-P energy: -8.733
tors. eta vs tors. theta energy: -3.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -165.653585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.653585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.653585 (E_RNA)
where:
Base-Base interactions energy: -102.364
where: short stacking energy: -61.915
Base-Backbone interact. energy: -0.639
local terms energy: -62.650760
where:
bonds (distance) C4'-P energy: -11.204
bonds (distance) P-C4' energy: -13.764
flat angles C4'-P-C4' energy: -13.634
flat angles P-C4'-P energy: -11.479
tors. eta vs tors. theta energy: -12.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -175.475149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.475149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.475149 (E_RNA)
where:
Base-Base interactions energy: -111.468
where: short stacking energy: -46.007
Base-Backbone interact. energy: -0.190
local terms energy: -63.816954
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -13.643
flat angles P-C4'-P energy: -10.540
tors. eta vs tors. theta energy: -12.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -144.744537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.744537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.744537 (E_RNA)
where:
Base-Base interactions energy: -84.757
where: short stacking energy: -45.678
Base-Backbone interact. energy: -0.007
local terms energy: -59.979908
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -14.155
flat angles C4'-P-C4' energy: -12.362
flat angles P-C4'-P energy: -7.441
tors. eta vs tors. theta energy: -11.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -96.519762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.519762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.519762 (E_RNA)
where:
Base-Base interactions energy: -50.082
where: short stacking energy: -31.711
Base-Backbone interact. energy: -0.968
local terms energy: -45.469285
where:
bonds (distance) C4'-P energy: -9.184
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -12.882
flat angles P-C4'-P energy: -8.054
tors. eta vs tors. theta energy: -0.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -92.144782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.144782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.144782 (E_RNA)
where:
Base-Base interactions energy: -39.466
where: short stacking energy: -26.667
Base-Backbone interact. energy: -0.004
local terms energy: -52.674106
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -12.750
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -9.893
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: 9, replica: 3
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -88.203783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.203783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.203783 (E_RNA)
where:
Base-Base interactions energy: -39.130
where: short stacking energy: -30.791
Base-Backbone interact. energy: -0.019
local terms energy: -49.055045
where:
bonds (distance) C4'-P energy: -7.596
bonds (distance) P-C4' energy: -12.639
flat angles C4'-P-C4' energy: -12.096
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -4.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -80.608497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.608497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.608497 (E_RNA)
where:
Base-Base interactions energy: -29.185
where: short stacking energy: -20.512
Base-Backbone interact. energy: -0.817
local terms energy: -50.606397
where:
bonds (distance) C4'-P energy: -10.472
bonds (distance) P-C4' energy: -12.275
flat angles C4'-P-C4' energy: -16.543
flat angles P-C4'-P energy: -9.090
tors. eta vs tors. theta energy: -2.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -223.132543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.132543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.132543 (E_RNA)
where:
Base-Base interactions energy: -154.606
where: short stacking energy: -60.382
Base-Backbone interact. energy: -0.996
local terms energy: -67.530373
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -12.326
flat angles P-C4'-P energy: -9.771
tors. eta vs tors. theta energy: -15.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -193.128934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.128934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.128934 (E_RNA)
where:
Base-Base interactions energy: -123.671
where: short stacking energy: -69.121
Base-Backbone interact. energy: -0.017
local terms energy: -69.440385
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -13.894
flat angles P-C4'-P energy: -8.207
tors. eta vs tors. theta energy: -15.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -149.117130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.117130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.117130 (E_RNA)
where:
Base-Base interactions energy: -78.170
where: short stacking energy: -52.090
Base-Backbone interact. energy: -0.265
local terms energy: -70.681697
where:
bonds (distance) C4'-P energy: -15.953
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -16.758
flat angles P-C4'-P energy: -9.248
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: 4, replica: 8
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -172.263442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.263442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.263442 (E_RNA)
where:
Base-Base interactions energy: -106.558
where: short stacking energy: -59.922
Base-Backbone interact. energy: -0.057
local terms energy: -65.648296
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -14.555
flat angles C4'-P-C4' energy: -12.316
flat angles P-C4'-P energy: -12.034
tors. eta vs tors. theta energy: -14.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -179.991418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.991418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.991418 (E_RNA)
where:
Base-Base interactions energy: -113.225
where: short stacking energy: -53.835
Base-Backbone interact. energy: -0.102
local terms energy: -66.664712
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -12.752
flat angles P-C4'-P energy: -8.576
tors. eta vs tors. theta energy: -15.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -147.283208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.283208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.283208 (E_RNA)
where:
Base-Base interactions energy: -96.214
where: short stacking energy: -51.340
Base-Backbone interact. energy: -0.709
local terms energy: -50.361196
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -11.301
flat angles C4'-P-C4' energy: -10.805
flat angles P-C4'-P energy: -3.796
tors. eta vs tors. theta energy: -10.026
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: 6
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -91.570825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.570825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.570825 (E_RNA)
where:
Base-Base interactions energy: -40.947
where: short stacking energy: -37.889
Base-Backbone interact. energy: -0.014
local terms energy: -50.610322
where:
bonds (distance) C4'-P energy: -8.882
bonds (distance) P-C4' energy: -12.144
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -11.364
tors. eta vs tors. theta energy: -4.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -87.037606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.037606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.037606 (E_RNA)
where:
Base-Base interactions energy: -29.306
where: short stacking energy: -29.306
Base-Backbone interact. energy: -0.211
local terms energy: -57.520942
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -15.820
flat angles P-C4'-P energy: -9.228
tors. eta vs tors. theta energy: -5.230
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: 341
Temperature: 1.300000
Total energy: -79.346436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.346436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.346436 (E_RNA)
where:
Base-Base interactions energy: -29.468
where: short stacking energy: -29.444
Base-Backbone interact. energy: -0.240
local terms energy: -49.639330
where:
bonds (distance) C4'-P energy: -10.804
bonds (distance) P-C4' energy: -13.201
flat angles C4'-P-C4' energy: -8.237
flat angles P-C4'-P energy: -11.826
tors. eta vs tors. theta energy: -5.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -74.073672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.073672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.073672 (E_RNA)
where:
Base-Base interactions energy: -27.910
where: short stacking energy: -27.910
Base-Backbone interact. energy: 1.122
local terms energy: -47.285814
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -8.416
flat angles C4'-P-C4' energy: -14.337
flat angles P-C4'-P energy: -11.019
tors. eta vs tors. theta energy: 0.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -220.842041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.842041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.842041 (E_RNA)
where:
Base-Base interactions energy: -148.478
where: short stacking energy: -60.857
Base-Backbone interact. energy: -0.186
local terms energy: -72.178144
where:
bonds (distance) C4'-P energy: -17.539
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -14.752
flat angles P-C4'-P energy: -9.089
tors. eta vs tors. theta energy: -14.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -201.811265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.811265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.811265 (E_RNA)
where:
Base-Base interactions energy: -136.573
where: short stacking energy: -66.988
Base-Backbone interact. energy: 1.024
local terms energy: -66.262379
where:
bonds (distance) C4'-P energy: -16.555
bonds (distance) P-C4' energy: -12.034
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -4.865
tors. eta vs tors. theta energy: -17.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -188.058867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.058867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.058867 (E_RNA)
where:
Base-Base interactions energy: -119.951
where: short stacking energy: -54.832
Base-Backbone interact. energy: -0.681
local terms energy: -67.427456
where:
bonds (distance) C4'-P energy: -13.576
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -11.899
flat angles P-C4'-P energy: -12.911
tors. eta vs tors. theta energy: -15.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -157.989819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.989819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.989819 (E_RNA)
where:
Base-Base interactions energy: -89.225
where: short stacking energy: -50.828
Base-Backbone interact. energy: -0.048
local terms energy: -68.716315
where:
bonds (distance) C4'-P energy: -17.754
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -15.588
flat angles P-C4'-P energy: -9.858
tors. eta vs tors. theta energy: -11.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -169.062826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.062826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.062826 (E_RNA)
where:
Base-Base interactions energy: -109.743
where: short stacking energy: -49.246
Base-Backbone interact. energy: -0.061
local terms energy: -59.258594
where:
bonds (distance) C4'-P energy: -13.251
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -11.615
flat angles P-C4'-P energy: -11.235
tors. eta vs tors. theta energy: -9.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -110.096776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.096776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.096776 (E_RNA)
where:
Base-Base interactions energy: -54.347
where: short stacking energy: -33.730
Base-Backbone interact. energy: -0.056
local terms energy: -55.692964
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -17.423
flat angles C4'-P-C4' energy: -12.458
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -2.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -96.472300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.472300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.472300 (E_RNA)
where:
Base-Base interactions energy: -39.925
where: short stacking energy: -39.358
Base-Backbone interact. energy: -0.292
local terms energy: -56.255838
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -12.809
flat angles C4'-P-C4' energy: -12.457
flat angles P-C4'-P energy: -9.967
tors. eta vs tors. theta energy: -5.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -84.300020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.300020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.300020 (E_RNA)
where:
Base-Base interactions energy: -30.866
where: short stacking energy: -30.866
Base-Backbone interact. energy: -0.160
local terms energy: -53.274437
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -14.373
flat angles C4'-P-C4' energy: -11.617
flat angles P-C4'-P energy: -12.030
tors. eta vs tors. theta energy: -3.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -95.223301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.223301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.223301 (E_RNA)
where:
Base-Base interactions energy: -50.329
where: short stacking energy: -27.175
Base-Backbone interact. energy: -0.089
local terms energy: -44.805138
where:
bonds (distance) C4'-P energy: -11.903
bonds (distance) P-C4' energy: -14.712
flat angles C4'-P-C4' energy: -12.665
flat angles P-C4'-P energy: 0.399
tors. eta vs tors. theta energy: -5.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -75.529990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.529990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.529990 (E_RNA)
where:
Base-Base interactions energy: -29.028
where: short stacking energy: -22.735
Base-Backbone interact. energy: -0.240
local terms energy: -46.262410
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -12.389
flat angles C4'-P-C4' energy: -12.948
flat angles P-C4'-P energy: -7.005
tors. eta vs tors. theta energy: -2.061
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: 1, replica: 4
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -225.884100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.884100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.884100 (E_RNA)
where:
Base-Base interactions energy: -158.805
where: short stacking energy: -59.593
Base-Backbone interact. energy: -0.759
local terms energy: -66.319850
where:
bonds (distance) C4'-P energy: -12.301
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -15.930
flat angles P-C4'-P energy: -10.491
tors. eta vs tors. theta energy: -11.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -206.911307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.911307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.911307 (E_RNA)
where:
Base-Base interactions energy: -144.262
where: short stacking energy: -71.560
Base-Backbone interact. energy: -0.884
local terms energy: -61.765765
where:
bonds (distance) C4'-P energy: -10.733
bonds (distance) P-C4' energy: -8.949
flat angles C4'-P-C4' energy: -14.350
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -17.636
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: 343
Temperature: 1.000000
Total energy: -188.032333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.032333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.032333 (E_RNA)
where:
Base-Base interactions energy: -116.091
where: short stacking energy: -55.782
Base-Backbone interact. energy: 0.425
local terms energy: -72.365713
where:
bonds (distance) C4'-P energy: -16.197
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -17.627
flat angles P-C4'-P energy: -9.716
tors. eta vs tors. theta energy: -12.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -161.464950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.464950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.464950 (E_RNA)
where:
Base-Base interactions energy: -96.071
where: short stacking energy: -54.856
Base-Backbone interact. energy: -0.003
local terms energy: -65.390472
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -14.053
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -14.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -150.409901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.409901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.409901 (E_RNA)
where:
Base-Base interactions energy: -91.227
where: short stacking energy: -52.094
Base-Backbone interact. energy: -0.365
local terms energy: -58.817232
where:
bonds (distance) C4'-P energy: -10.500
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -13.619
flat angles P-C4'-P energy: -7.515
tors. eta vs tors. theta energy: -11.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -128.728667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.728667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.728667 (E_RNA)
where:
Base-Base interactions energy: -77.413
where: short stacking energy: -41.678
Base-Backbone interact. energy: -0.060
local terms energy: -51.255442
where:
bonds (distance) C4'-P energy: -10.903
bonds (distance) P-C4' energy: -10.260
flat angles C4'-P-C4' energy: -14.251
flat angles P-C4'-P energy: -7.986
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: 7
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -94.506235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.506235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.506235 (E_RNA)
where:
Base-Base interactions energy: -46.408
where: short stacking energy: -33.300
Base-Backbone interact. energy: -0.149
local terms energy: -47.949129
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -12.712
flat angles C4'-P-C4' energy: -12.849
flat angles P-C4'-P energy: -4.938
tors. eta vs tors. theta energy: -3.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -80.290949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.290949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.290949 (E_RNA)
where:
Base-Base interactions energy: -23.186
where: short stacking energy: -15.459
Base-Backbone interact. energy: -0.094
local terms energy: -57.010692
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -14.968
flat angles P-C4'-P energy: -9.575
tors. eta vs tors. theta energy: -2.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -79.532342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.532342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.532342 (E_RNA)
where:
Base-Base interactions energy: -25.660
where: short stacking energy: -25.860
Base-Backbone interact. energy: -0.372
local terms energy: -53.500043
where:
bonds (distance) C4'-P energy: -15.037
bonds (distance) P-C4' energy: -13.415
flat angles C4'-P-C4' energy: -15.859
flat angles P-C4'-P energy: -4.514
tors. eta vs tors. theta energy: -4.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -75.991466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.991466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.991466 (E_RNA)
where:
Base-Base interactions energy: -24.649
where: short stacking energy: -24.649
Base-Backbone interact. energy: -0.108
local terms energy: -51.234200
where:
bonds (distance) C4'-P energy: -9.947
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -14.189
flat angles P-C4'-P energy: -3.807
tors. eta vs tors. theta energy: -7.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -205.659507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.659507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.659507 (E_RNA)
where:
Base-Base interactions energy: -130.600
where: short stacking energy: -69.038
Base-Backbone interact. energy: -0.176
local terms energy: -74.883500
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -16.386
flat angles P-C4'-P energy: -11.559
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: 2, replica: 4
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -211.251433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.251433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.251433 (E_RNA)
where:
Base-Base interactions energy: -148.028
where: short stacking energy: -56.922
Base-Backbone interact. energy: -0.363
local terms energy: -62.860913
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -16.500
flat angles P-C4'-P energy: -6.713
tors. eta vs tors. theta energy: -10.468
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: 5
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -169.869428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.869428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.869428 (E_RNA)
where:
Base-Base interactions energy: -102.535
where: short stacking energy: -54.819
Base-Backbone interact. energy: -0.152
local terms energy: -67.182300
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -11.973
flat angles C4'-P-C4' energy: -13.654
flat angles P-C4'-P energy: -11.797
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: 344
Temperature: 1.050000
Total energy: -173.441184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.441184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.441184 (E_RNA)
where:
Base-Base interactions energy: -120.002
where: short stacking energy: -46.764
Base-Backbone interact. energy: -0.161
local terms energy: -53.278809
where:
bonds (distance) C4'-P energy: -8.451
bonds (distance) P-C4' energy: -11.122
flat angles C4'-P-C4' energy: -12.957
flat angles P-C4'-P energy: -12.591
tors. eta vs tors. theta energy: -8.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -151.030958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.030958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.030958 (E_RNA)
where:
Base-Base interactions energy: -83.590
where: short stacking energy: -46.451
Base-Backbone interact. energy: -1.877
local terms energy: -65.564361
where:
bonds (distance) C4'-P energy: -16.822
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -10.300
flat angles P-C4'-P energy: -9.695
tors. eta vs tors. theta energy: -13.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -145.782255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.782255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.782255 (E_RNA)
where:
Base-Base interactions energy: -88.867
where: short stacking energy: -58.095
Base-Backbone interact. energy: -1.189
local terms energy: -55.726307
where:
bonds (distance) C4'-P energy: -8.920
bonds (distance) P-C4' energy: -13.509
flat angles C4'-P-C4' energy: -14.885
flat angles P-C4'-P energy: -9.332
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: 7, replica: 10
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -92.319347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.319347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.319347 (E_RNA)
where:
Base-Base interactions energy: -45.462
where: short stacking energy: -39.421
Base-Backbone interact. energy: -1.047
local terms energy: -45.810478
where:
bonds (distance) C4'-P energy: -10.355
bonds (distance) P-C4' energy: -12.869
flat angles C4'-P-C4' energy: -8.241
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: -4.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -123.438710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.438710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.438710 (E_RNA)
where:
Base-Base interactions energy: -62.947
where: short stacking energy: -39.733
Base-Backbone interact. energy: -0.041
local terms energy: -60.450838
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -10.937
flat angles C4'-P-C4' energy: -16.485
flat angles P-C4'-P energy: -7.134
tors. eta vs tors. theta energy: -12.314
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: 6
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -85.666360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.666360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.666360 (E_RNA)
where:
Base-Base interactions energy: -38.534
where: short stacking energy: -25.482
Base-Backbone interact. energy: -0.258
local terms energy: -46.874312
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -6.685
flat angles P-C4'-P energy: -9.953
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: 1
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -79.233453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.233453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.233453 (E_RNA)
where:
Base-Base interactions energy: -32.628
where: short stacking energy: -32.628
Base-Backbone interact. energy: -0.289
local terms energy: -46.317078
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -15.725
flat angles P-C4'-P energy: -0.321
tors. eta vs tors. theta energy: -3.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -209.549598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.549598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.549598 (E_RNA)
where:
Base-Base interactions energy: -133.674
where: short stacking energy: -66.764
Base-Backbone interact. energy: -0.160
local terms energy: -75.715517
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -15.114
flat angles C4'-P-C4' energy: -15.319
flat angles P-C4'-P energy: -10.855
tors. eta vs tors. theta energy: -20.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -189.837347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.837347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.837347 (E_RNA)
where:
Base-Base interactions energy: -127.312
where: short stacking energy: -52.952
Base-Backbone interact. energy: -0.145
local terms energy: -62.380184
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -15.918
flat angles C4'-P-C4' energy: -13.472
flat angles P-C4'-P energy: -5.563
tors. eta vs tors. theta energy: -13.867
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: 5
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -168.802049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.802049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.802049 (E_RNA)
where:
Base-Base interactions energy: -105.314
where: short stacking energy: -56.926
Base-Backbone interact. energy: -0.482
local terms energy: -63.005941
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -11.593
flat angles P-C4'-P energy: -7.015
tors. eta vs tors. theta energy: -12.863
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: 3
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -156.863991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.863991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.863991 (E_RNA)
where:
Base-Base interactions energy: -96.113
where: short stacking energy: -55.872
Base-Backbone interact. energy: 0.789
local terms energy: -61.540078
where:
bonds (distance) C4'-P energy: -12.009
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -10.472
flat angles P-C4'-P energy: -8.745
tors. eta vs tors. theta energy: -13.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -196.079996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.079996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.079996 (E_RNA)
where:
Base-Base interactions energy: -135.741
where: short stacking energy: -51.639
Base-Backbone interact. energy: -0.199
local terms energy: -60.139471
where:
bonds (distance) C4'-P energy: -10.881
bonds (distance) P-C4' energy: -12.006
flat angles C4'-P-C4' energy: -14.858
flat angles P-C4'-P energy: -12.066
tors. eta vs tors. theta energy: -10.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -89.078111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.078111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.078111 (E_RNA)
where:
Base-Base interactions energy: -38.452
where: short stacking energy: -33.585
Base-Backbone interact. energy: 0.267
local terms energy: -50.892264
where:
bonds (distance) C4'-P energy: -17.916
bonds (distance) P-C4' energy: -7.744
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -8.596
tors. eta vs tors. theta energy: -2.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -101.767516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.767516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.767516 (E_RNA)
where:
Base-Base interactions energy: -49.536
where: short stacking energy: -42.450
Base-Backbone interact. energy: -0.039
local terms energy: -52.193337
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -14.889
flat angles P-C4'-P energy: -3.648
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: 7
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -121.573151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.573151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.573151 (E_RNA)
where:
Base-Base interactions energy: -68.107
where: short stacking energy: -23.933
Base-Backbone interact. energy: -0.680
local terms energy: -52.786275
where:
bonds (distance) C4'-P energy: -9.382
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -12.069
flat angles P-C4'-P energy: -7.222
tors. eta vs tors. theta energy: -5.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -80.096100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.096100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.096100 (E_RNA)
where:
Base-Base interactions energy: -28.730
where: short stacking energy: -28.730
Base-Backbone interact. energy: -0.001
local terms energy: -51.365519
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -12.550
flat angles C4'-P-C4' energy: -12.142
flat angles P-C4'-P energy: -11.223
tors. eta vs tors. theta energy: -2.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -77.704267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.704267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.704267 (E_RNA)
where:
Base-Base interactions energy: -35.250
where: short stacking energy: -29.960
Base-Backbone interact. energy: 0.258
local terms energy: -42.711641
where:
bonds (distance) C4'-P energy: -10.133
bonds (distance) P-C4' energy: -10.937
flat angles C4'-P-C4' energy: -17.204
flat angles P-C4'-P energy: -3.172
tors. eta vs tors. theta energy: -1.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -195.112070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.112070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.112070 (E_RNA)
where:
Base-Base interactions energy: -130.012
where: short stacking energy: -66.496
Base-Backbone interact. energy: -0.110
local terms energy: -64.990265
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -14.589
flat angles P-C4'-P energy: -8.027
tors. eta vs tors. theta energy: -11.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -213.134349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.134349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.134349 (E_RNA)
where:
Base-Base interactions energy: -137.166
where: short stacking energy: -67.887
Base-Backbone interact. energy: -0.249
local terms energy: -75.719500
where:
bonds (distance) C4'-P energy: -16.286
bonds (distance) P-C4' energy: -15.204
flat angles C4'-P-C4' energy: -17.038
flat angles P-C4'-P energy: -5.909
tors. eta vs tors. theta energy: -21.282
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: 3, replica: 3
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -171.303962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.303962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.303962 (E_RNA)
where:
Base-Base interactions energy: -102.672
where: short stacking energy: -66.061
Base-Backbone interact. energy: 0.734
local terms energy: -69.366017
where:
bonds (distance) C4'-P energy: -11.479
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -17.232
flat angles P-C4'-P energy: -9.559
tors. eta vs tors. theta energy: -15.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -174.132365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.132365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.132365 (E_RNA)
where:
Base-Base interactions energy: -100.692
where: short stacking energy: -57.566
Base-Backbone interact. energy: -0.895
local terms energy: -72.545142
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -14.000
flat angles C4'-P-C4' energy: -13.835
flat angles P-C4'-P energy: -11.065
tors. eta vs tors. theta energy: -17.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -194.721899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.721899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.721899 (E_RNA)
where:
Base-Base interactions energy: -117.973
where: short stacking energy: -63.895
Base-Backbone interact. energy: -0.006
local terms energy: -76.742410
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -18.469
flat angles C4'-P-C4' energy: -14.734
flat angles P-C4'-P energy: -10.384
tors. eta vs tors. theta energy: -20.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -101.796786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.796786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.796786 (E_RNA)
where:
Base-Base interactions energy: -45.875
where: short stacking energy: -36.301
Base-Backbone interact. energy: -0.059
local terms energy: -55.862607
where:
bonds (distance) C4'-P energy: -17.522
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -7.780
flat angles P-C4'-P energy: -8.949
tors. eta vs tors. theta energy: -3.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -114.438310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.438310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.438310 (E_RNA)
where:
Base-Base interactions energy: -58.309
where: short stacking energy: -44.163
Base-Backbone interact. energy: -0.306
local terms energy: -55.823684
where:
bonds (distance) C4'-P energy: -13.580
bonds (distance) P-C4' energy: -10.791
flat angles C4'-P-C4' energy: -15.046
flat angles P-C4'-P energy: -5.956
tors. eta vs tors. theta energy: -10.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -96.973704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.973704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.973704 (E_RNA)
where:
Base-Base interactions energy: -45.732
where: short stacking energy: -37.867
Base-Backbone interact. energy: -0.264
local terms energy: -50.978004
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -14.245
flat angles C4'-P-C4' energy: -13.281
flat angles P-C4'-P energy: -5.890
tors. eta vs tors. theta energy: -2.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -99.796682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.796682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.796682 (E_RNA)
where:
Base-Base interactions energy: -46.094
where: short stacking energy: -45.099
Base-Backbone interact. energy: -0.034
local terms energy: -53.668292
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -9.612
flat angles C4'-P-C4' energy: -13.733
flat angles P-C4'-P energy: -7.499
tors. eta vs tors. theta energy: -10.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -92.156456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.156456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.156456 (E_RNA)
where:
Base-Base interactions energy: -44.051
where: short stacking energy: -31.917
Base-Backbone interact. energy: -0.482
local terms energy: -47.623177
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -16.088
flat angles C4'-P-C4' energy: -11.357
flat angles P-C4'-P energy: -4.254
tors. eta vs tors. theta energy: -3.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -198.613290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.613290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.613290 (E_RNA)
where:
Base-Base interactions energy: -138.190
where: short stacking energy: -62.228
Base-Backbone interact. energy: -0.205
local terms energy: -60.217688
where:
bonds (distance) C4'-P energy: -12.136
bonds (distance) P-C4' energy: -9.565
flat angles C4'-P-C4' energy: -13.637
flat angles P-C4'-P energy: -7.589
tors. eta vs tors. theta energy: -17.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -174.034203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.034203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.034203 (E_RNA)
where:
Base-Base interactions energy: -103.279
where: short stacking energy: -57.489
Base-Backbone interact. energy: -0.028
local terms energy: -70.727712
where:
bonds (distance) C4'-P energy: -17.783
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -16.993
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -11.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -196.340526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.340526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.340526 (E_RNA)
where:
Base-Base interactions energy: -123.927
where: short stacking energy: -60.957
Base-Backbone interact. energy: -0.900
local terms energy: -71.512880
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -13.215
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -10.055
tors. eta vs tors. theta energy: -16.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -156.929577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.929577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.929577 (E_RNA)
where:
Base-Base interactions energy: -93.735
where: short stacking energy: -51.138
Base-Backbone interact. energy: -0.146
local terms energy: -63.048370
where:
bonds (distance) C4'-P energy: -7.719
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -16.039
flat angles P-C4'-P energy: -9.906
tors. eta vs tors. theta energy: -11.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -159.783406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.783406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.783406 (E_RNA)
where:
Base-Base interactions energy: -91.885
where: short stacking energy: -56.012
Base-Backbone interact. energy: -0.490
local terms energy: -67.408549
where:
bonds (distance) C4'-P energy: -16.913
bonds (distance) P-C4' energy: -14.605
flat angles C4'-P-C4' energy: -10.750
flat angles P-C4'-P energy: -9.589
tors. eta vs tors. theta energy: -15.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -100.238791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.238791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.238791 (E_RNA)
where:
Base-Base interactions energy: -44.224
where: short stacking energy: -33.066
Base-Backbone interact. energy: -0.177
local terms energy: -55.838048
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -12.589
flat angles C4'-P-C4' energy: -15.608
flat angles P-C4'-P energy: -7.566
tors. eta vs tors. theta energy: -7.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -96.928735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.928735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.928735 (E_RNA)
where:
Base-Base interactions energy: -40.085
where: short stacking energy: -39.980
Base-Backbone interact. energy: -0.273
local terms energy: -56.570967
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -15.580
flat angles C4'-P-C4' energy: -11.055
flat angles P-C4'-P energy: -6.727
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: 6
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -91.886258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.886258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.886258 (E_RNA)
where:
Base-Base interactions energy: -57.557
where: short stacking energy: -18.946
Base-Backbone interact. energy: -0.150
local terms energy: -34.179967
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -14.130
flat angles C4'-P-C4' energy: -5.737
flat angles P-C4'-P energy: -5.026
tors. eta vs tors. theta energy: 2.560
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: 9
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -77.815501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.815501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.815501 (E_RNA)
where:
Base-Base interactions energy: -27.727
where: short stacking energy: -27.727
Base-Backbone interact. energy: -0.202
local terms energy: -49.886292
where:
bonds (distance) C4'-P energy: -12.016
bonds (distance) P-C4' energy: -14.502
flat angles C4'-P-C4' energy: -13.189
flat angles P-C4'-P energy: -10.507
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)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -78.274128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.274128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.274128 (E_RNA)
where:
Base-Base interactions energy: -32.524
where: short stacking energy: -29.474
Base-Backbone interact. energy: -0.160
local terms energy: -45.589636
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -11.765
flat angles C4'-P-C4' energy: -13.277
flat angles P-C4'-P energy: -2.699
tors. eta vs tors. theta energy: -5.617
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: 1, replica: 3
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -187.612929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.612929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.612929 (E_RNA)
where:
Base-Base interactions energy: -115.036
where: short stacking energy: -66.934
Base-Backbone interact. energy: -0.008
local terms energy: -72.568375
where:
bonds (distance) C4'-P energy: -15.923
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -14.535
flat angles P-C4'-P energy: -11.897
tors. eta vs tors. theta energy: -14.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -196.718583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.718583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.718583 (E_RNA)
where:
Base-Base interactions energy: -128.851
where: short stacking energy: -58.099
Base-Backbone interact. energy: -0.330
local terms energy: -67.537670
where:
bonds (distance) C4'-P energy: -13.371
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -13.386
flat angles P-C4'-P energy: -9.719
tors. eta vs tors. theta energy: -14.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -190.000094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.000094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.000094 (E_RNA)
where:
Base-Base interactions energy: -118.715
where: short stacking energy: -52.310
Base-Backbone interact. energy: -2.269
local terms energy: -69.016077
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -14.179
flat angles P-C4'-P energy: -8.150
tors. eta vs tors. theta energy: -14.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -177.605587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.605587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.605587 (E_RNA)
where:
Base-Base interactions energy: -115.806
where: short stacking energy: -49.499
Base-Backbone interact. energy: -0.469
local terms energy: -61.330036
where:
bonds (distance) C4'-P energy: -14.333
bonds (distance) P-C4' energy: -10.617
flat angles C4'-P-C4' energy: -13.959
flat angles P-C4'-P energy: -10.302
tors. eta vs tors. theta energy: -12.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -158.111889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.111889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.111889 (E_RNA)
where:
Base-Base interactions energy: -98.980
where: short stacking energy: -41.778
Base-Backbone interact. energy: -0.348
local terms energy: -58.784404
where:
bonds (distance) C4'-P energy: -10.808
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -14.801
flat angles P-C4'-P energy: -5.344
tors. eta vs tors. theta energy: -10.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -101.089389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.089389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.089389 (E_RNA)
where:
Base-Base interactions energy: -50.623
where: short stacking energy: -42.835
Base-Backbone interact. energy: -0.233
local terms energy: -50.233101
where:
bonds (distance) C4'-P energy: -12.425
bonds (distance) P-C4' energy: -9.868
flat angles C4'-P-C4' energy: -14.257
flat angles P-C4'-P energy: -8.458
tors. eta vs tors. theta energy: -5.225
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: 10
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -96.621551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.621551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.621551 (E_RNA)
where:
Base-Base interactions energy: -42.131
where: short stacking energy: -35.853
Base-Backbone interact. energy: -0.014
local terms energy: -54.476674
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -13.589
flat angles C4'-P-C4' energy: -14.015
flat angles P-C4'-P energy: -9.069
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)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -112.543012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.543012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.543012 (E_RNA)
where:
Base-Base interactions energy: -67.690
where: short stacking energy: -34.381
Base-Backbone interact. energy: -1.656
local terms energy: -43.197031
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -8.537
flat angles C4'-P-C4' energy: -9.018
flat angles P-C4'-P energy: -9.468
tors. eta vs tors. theta energy: -1.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -76.750842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.750842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.750842 (E_RNA)
where:
Base-Base interactions energy: -22.204
where: short stacking energy: -18.903
Base-Backbone interact. energy: 1.584
local terms energy: -56.130393
where:
bonds (distance) C4'-P energy: -14.748
bonds (distance) P-C4' energy: -16.233
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -11.730
tors. eta vs tors. theta energy: 1.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -86.703391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.703391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.703391 (E_RNA)
where:
Base-Base interactions energy: -34.246
where: short stacking energy: -32.833
Base-Backbone interact. energy: -0.113
local terms energy: -52.344379
where:
bonds (distance) C4'-P energy: -8.328
bonds (distance) P-C4' energy: -12.452
flat angles C4'-P-C4' energy: -13.417
flat angles P-C4'-P energy: -7.009
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: 1, replica: 3
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -181.322596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.322596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.322596 (E_RNA)
where:
Base-Base interactions energy: -111.885
where: short stacking energy: -64.618
Base-Backbone interact. energy: -0.426
local terms energy: -69.012390
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -15.339
flat angles P-C4'-P energy: -11.423
tors. eta vs tors. theta energy: -15.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -205.177282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.177282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.177282 (E_RNA)
where:
Base-Base interactions energy: -133.676
where: short stacking energy: -52.219
Base-Backbone interact. energy: -1.647
local terms energy: -69.854214
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -15.087
flat angles C4'-P-C4' energy: -14.698
flat angles P-C4'-P energy: -12.152
tors. eta vs tors. theta energy: -13.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -189.769482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.769482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.769482 (E_RNA)
where:
Base-Base interactions energy: -124.536
where: short stacking energy: -53.895
Base-Backbone interact. energy: -0.231
local terms energy: -65.002340
where:
bonds (distance) C4'-P energy: -12.181
bonds (distance) P-C4' energy: -15.342
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -10.499
tors. eta vs tors. theta energy: -11.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -178.888279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.888279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.888279 (E_RNA)
where:
Base-Base interactions energy: -109.660
where: short stacking energy: -65.008
Base-Backbone interact. energy: -0.019
local terms energy: -69.209464
where:
bonds (distance) C4'-P energy: -10.352
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -15.334
flat angles P-C4'-P energy: -12.636
tors. eta vs tors. theta energy: -14.417
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: 5
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -150.029878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.029878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.029878 (E_RNA)
where:
Base-Base interactions energy: -85.852
where: short stacking energy: -48.356
Base-Backbone interact. energy: -0.004
local terms energy: -64.173534
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -15.492
flat angles C4'-P-C4' energy: -13.836
flat angles P-C4'-P energy: -10.828
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)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -102.417811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.417811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.417811 (E_RNA)
where:
Base-Base interactions energy: -46.664
where: short stacking energy: -46.664
Base-Backbone interact. energy: 0.648
local terms energy: -56.401977
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -11.465
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -8.369
tors. eta vs tors. theta energy: -9.595
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: 7
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -91.668579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.668579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.668579 (E_RNA)
where:
Base-Base interactions energy: -37.264
where: short stacking energy: -31.934
Base-Backbone interact. energy: -0.482
local terms energy: -53.922609
where:
bonds (distance) C4'-P energy: -13.901
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -10.129
flat angles P-C4'-P energy: -11.852
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: 8, replica: 1
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -85.772269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.772269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.772269 (E_RNA)
where:
Base-Base interactions energy: -31.478
where: short stacking energy: -31.081
Base-Backbone interact. energy: -0.107
local terms energy: -54.186881
where:
bonds (distance) C4'-P energy: -10.547
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -16.463
flat angles P-C4'-P energy: -6.623
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: 9, replica: 6
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -87.430893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.430893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.430893 (E_RNA)
where:
Base-Base interactions energy: -34.409
where: short stacking energy: -28.197
Base-Backbone interact. energy: -0.371
local terms energy: -52.650314
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -13.618
flat angles P-C4'-P energy: -5.845
tors. eta vs tors. theta energy: -1.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -73.316373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.316373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.316373 (E_RNA)
where:
Base-Base interactions energy: -26.590
where: short stacking energy: -23.706
Base-Backbone interact. energy: 2.848
local terms energy: -49.574581
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -13.788
flat angles C4'-P-C4' energy: -10.718
flat angles P-C4'-P energy: -8.486
tors. eta vs tors. theta energy: -1.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -188.618501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.618501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.618501 (E_RNA)
where:
Base-Base interactions energy: -122.677
where: short stacking energy: -56.373
Base-Backbone interact. energy: -0.118
local terms energy: -65.822904
where:
bonds (distance) C4'-P energy: -14.703
bonds (distance) P-C4' energy: -14.710
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -9.302
tors. eta vs tors. theta energy: -12.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -177.796470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.796470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.796470 (E_RNA)
where:
Base-Base interactions energy: -99.716
where: short stacking energy: -60.662
Base-Backbone interact. energy: -0.513
local terms energy: -77.566925
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -13.486
tors. eta vs tors. theta energy: -18.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -169.117572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.117572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.117572 (E_RNA)
where:
Base-Base interactions energy: -103.549
where: short stacking energy: -48.775
Base-Backbone interact. energy: -0.107
local terms energy: -65.462080
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -12.858
flat angles P-C4'-P energy: -6.659
tors. eta vs tors. theta energy: -12.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -164.621876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.621876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.621876 (E_RNA)
where:
Base-Base interactions energy: -105.427
where: short stacking energy: -43.366
Base-Backbone interact. energy: -0.223
local terms energy: -58.971893
where:
bonds (distance) C4'-P energy: -9.142
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -10.409
tors. eta vs tors. theta energy: -11.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -112.391842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.391842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.391842 (E_RNA)
where:
Base-Base interactions energy: -47.896
where: short stacking energy: -47.896
Base-Backbone interact. energy: -0.344
local terms energy: -64.152414
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -14.808
flat angles P-C4'-P energy: -7.584
tors. eta vs tors. theta energy: -12.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -159.120034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.120034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.120034 (E_RNA)
where:
Base-Base interactions energy: -92.831
where: short stacking energy: -59.309
Base-Backbone interact. energy: -0.424
local terms energy: -65.865274
where:
bonds (distance) C4'-P energy: -13.640
bonds (distance) P-C4' energy: -14.816
flat angles C4'-P-C4' energy: -16.006
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -11.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -82.858367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.858367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.858367 (E_RNA)
where:
Base-Base interactions energy: -35.866
where: short stacking energy: -19.808
Base-Backbone interact. energy: -0.931
local terms energy: -46.060936
where:
bonds (distance) C4'-P energy: -10.693
bonds (distance) P-C4' energy: -16.822
flat angles C4'-P-C4' energy: -7.524
flat angles P-C4'-P energy: -12.672
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: 7
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -87.297789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.297789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.297789 (E_RNA)
where:
Base-Base interactions energy: -34.366
where: short stacking energy: -33.558
Base-Backbone interact. energy: -0.009
local terms energy: -52.923033
where:
bonds (distance) C4'-P energy: -11.315
bonds (distance) P-C4' energy: -11.207
flat angles C4'-P-C4' energy: -15.743
flat angles P-C4'-P energy: -6.918
tors. eta vs tors. theta energy: -7.740
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: 6
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -78.522203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.522203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.522203 (E_RNA)
where:
Base-Base interactions energy: -41.073
where: short stacking energy: -29.674
Base-Backbone interact. energy: -0.327
local terms energy: -37.122004
where:
bonds (distance) C4'-P energy: -6.178
bonds (distance) P-C4' energy: -12.856
flat angles C4'-P-C4' energy: -13.402
flat angles P-C4'-P energy: -1.440
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: 10, replica: 9
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -80.273822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.273822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.273822 (E_RNA)
where:
Base-Base interactions energy: -36.459
where: short stacking energy: -19.579
Base-Backbone interact. energy: 0.017
local terms energy: -43.831526
where:
bonds (distance) C4'-P energy: -12.787
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -10.711
flat angles P-C4'-P energy: -6.030
tors. eta vs tors. theta energy: 2.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -195.873615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.873615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.873615 (E_RNA)
where:
Base-Base interactions energy: -128.570
where: short stacking energy: -53.895
Base-Backbone interact. energy: -0.290
local terms energy: -67.013598
where:
bonds (distance) C4'-P energy: -12.446
bonds (distance) P-C4' energy: -15.791
flat angles C4'-P-C4' energy: -17.315
flat angles P-C4'-P energy: -11.642
tors. eta vs tors. theta energy: -9.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -182.588992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.588992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.588992 (E_RNA)
where:
Base-Base interactions energy: -111.179
where: short stacking energy: -63.783
Base-Backbone interact. energy: -0.059
local terms energy: -71.350230
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -13.295
flat angles P-C4'-P energy: -8.943
tors. eta vs tors. theta energy: -19.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -180.299658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.299658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.299658 (E_RNA)
where:
Base-Base interactions energy: -105.413
where: short stacking energy: -60.331
Base-Backbone interact. energy: -0.219
local terms energy: -74.667469
where:
bonds (distance) C4'-P energy: -16.242
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -14.546
flat angles P-C4'-P energy: -11.209
tors. eta vs tors. theta energy: -14.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -171.393888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.393888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.393888 (E_RNA)
where:
Base-Base interactions energy: -106.044
where: short stacking energy: -42.910
Base-Backbone interact. energy: -0.643
local terms energy: -64.707188
where:
bonds (distance) C4'-P energy: -12.874
bonds (distance) P-C4' energy: -13.769
flat angles C4'-P-C4' energy: -16.626
flat angles P-C4'-P energy: -11.148
tors. eta vs tors. theta energy: -10.291
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: 5, replica: 10
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -96.453624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.453624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.453624 (E_RNA)
where:
Base-Base interactions energy: -36.468
where: short stacking energy: -36.468
Base-Backbone interact. energy: -0.093
local terms energy: -59.892144
where:
bonds (distance) C4'-P energy: -13.114
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -12.341
flat angles P-C4'-P energy: -11.955
tors. eta vs tors. theta energy: -5.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -143.338563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.338563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.338563 (E_RNA)
where:
Base-Base interactions energy: -93.006
where: short stacking energy: -49.804
Base-Backbone interact. energy: -1.289
local terms energy: -49.043269
where:
bonds (distance) C4'-P energy: -6.908
bonds (distance) P-C4' energy: -14.966
flat angles C4'-P-C4' energy: -13.075
flat angles P-C4'-P energy: -7.738
tors. eta vs tors. theta energy: -6.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -90.334845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.334845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.334845 (E_RNA)
where:
Base-Base interactions energy: -33.305
where: short stacking energy: -32.865
Base-Backbone interact. energy: -0.113
local terms energy: -56.917220
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -12.782
flat angles C4'-P-C4' energy: -13.945
flat angles P-C4'-P energy: -8.549
tors. eta vs tors. theta energy: -7.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -93.048052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.048052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.048052 (E_RNA)
where:
Base-Base interactions energy: -34.733
where: short stacking energy: -30.514
Base-Backbone interact. energy: -0.313
local terms energy: -58.001836
where:
bonds (distance) C4'-P energy: -12.315
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -15.160
flat angles P-C4'-P energy: -9.533
tors. eta vs tors. theta energy: -7.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -78.755195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.755195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.755195 (E_RNA)
where:
Base-Base interactions energy: -25.238
where: short stacking energy: -23.493
Base-Backbone interact. energy: -0.516
local terms energy: -53.001301
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -13.023
flat angles C4'-P-C4' energy: -12.356
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -0.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -82.798111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.798111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.798111 (E_RNA)
where:
Base-Base interactions energy: -30.832
where: short stacking energy: -28.292
Base-Backbone interact. energy: -0.009
local terms energy: -51.957645
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -11.846
flat angles C4'-P-C4' energy: -12.960
flat angles P-C4'-P energy: -8.814
tors. eta vs tors. theta energy: -3.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -190.777615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.777615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.777615 (E_RNA)
where:
Base-Base interactions energy: -116.566
where: short stacking energy: -70.260
Base-Backbone interact. energy: 0.726
local terms energy: -74.937914
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -12.509
tors. eta vs tors. theta energy: -16.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -206.298791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.298791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.298791 (E_RNA)
where:
Base-Base interactions energy: -143.895
where: short stacking energy: -56.045
Base-Backbone interact. energy: -0.102
local terms energy: -62.301124
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -13.823
flat angles C4'-P-C4' energy: -13.560
flat angles P-C4'-P energy: -10.234
tors. eta vs tors. theta energy: -12.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -170.749206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.749206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.749206 (E_RNA)
where:
Base-Base interactions energy: -103.890
where: short stacking energy: -59.174
Base-Backbone interact. energy: 0.125
local terms energy: -66.983988
where:
bonds (distance) C4'-P energy: -17.183
bonds (distance) P-C4' energy: -16.266
flat angles C4'-P-C4' energy: -16.236
flat angles P-C4'-P energy: -6.795
tors. eta vs tors. theta energy: -10.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -164.654808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.654808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.654808 (E_RNA)
where:
Base-Base interactions energy: -96.048
where: short stacking energy: -52.845
Base-Backbone interact. energy: -0.628
local terms energy: -67.978993
where:
bonds (distance) C4'-P energy: -13.105
bonds (distance) P-C4' energy: -14.922
flat angles C4'-P-C4' energy: -14.551
flat angles P-C4'-P energy: -10.890
tors. eta vs tors. theta energy: -14.511
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: 5
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -167.489172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.489172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.489172 (E_RNA)
where:
Base-Base interactions energy: -97.948
where: short stacking energy: -54.421
Base-Backbone interact. energy: -0.102
local terms energy: -69.439102
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -12.151
flat angles C4'-P-C4' energy: -14.880
flat angles P-C4'-P energy: -9.290
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: 6, replica: 10
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -90.609895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.609895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.609895 (E_RNA)
where:
Base-Base interactions energy: -45.953
where: short stacking energy: -28.689
Base-Backbone interact. energy: -0.446
local terms energy: -44.211276
where:
bonds (distance) C4'-P energy: -12.398
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -9.194
flat angles P-C4'-P energy: -2.983
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: 7, replica: 6
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -104.467793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.467793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.467793 (E_RNA)
where:
Base-Base interactions energy: -59.649
where: short stacking energy: -29.953
Base-Backbone interact. energy: -1.176
local terms energy: -43.642495
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -7.276
flat angles P-C4'-P energy: -5.890
tors. eta vs tors. theta energy: -3.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -85.627087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.627087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.627087 (E_RNA)
where:
Base-Base interactions energy: -33.734
where: short stacking energy: -30.813
Base-Backbone interact. energy: -0.324
local terms energy: -51.568589
where:
bonds (distance) C4'-P energy: -13.438
bonds (distance) P-C4' energy: -13.489
flat angles C4'-P-C4' energy: -14.516
flat angles P-C4'-P energy: -7.484
tors. eta vs tors. theta energy: -2.642
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: 9, replica: 9
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -81.901641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.901641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.901641 (E_RNA)
where:
Base-Base interactions energy: -27.470
where: short stacking energy: -26.220
Base-Backbone interact. energy: -0.424
local terms energy: -54.008018
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -10.382
flat angles P-C4'-P energy: -9.881
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: 10, replica: 7
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -90.828792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.828792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.828792 (E_RNA)
where:
Base-Base interactions energy: -37.560
where: short stacking energy: -26.840
Base-Backbone interact. energy: -0.340
local terms energy: -52.928580
where:
bonds (distance) C4'-P energy: -11.644
bonds (distance) P-C4' energy: -12.343
flat angles C4'-P-C4' energy: -15.781
flat angles P-C4'-P energy: -11.594
tors. eta vs tors. theta energy: -1.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -195.583163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.583163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.583163 (E_RNA)
where:
Base-Base interactions energy: -120.526
where: short stacking energy: -69.412
Base-Backbone interact. energy: -0.050
local terms energy: -75.007529
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -16.463
flat angles P-C4'-P energy: -12.111
tors. eta vs tors. theta energy: -18.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -210.168693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.168693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.168693 (E_RNA)
where:
Base-Base interactions energy: -140.701
where: short stacking energy: -54.226
Base-Backbone interact. energy: -0.195
local terms energy: -69.271868
where:
bonds (distance) C4'-P energy: -13.396
bonds (distance) P-C4' energy: -13.807
flat angles C4'-P-C4' energy: -17.485
flat angles P-C4'-P energy: -12.005
tors. eta vs tors. theta energy: -12.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -191.901912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.901912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.901912 (E_RNA)
where:
Base-Base interactions energy: -130.465
where: short stacking energy: -53.648
Base-Backbone interact. energy: -0.212
local terms energy: -61.225588
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -12.813
flat angles C4'-P-C4' energy: -8.023
flat angles P-C4'-P energy: -12.160
tors. eta vs tors. theta energy: -13.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -167.198669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.198669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.198669 (E_RNA)
where:
Base-Base interactions energy: -103.579
where: short stacking energy: -52.958
Base-Backbone interact. energy: -0.160
local terms energy: -63.458970
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -12.670
flat angles P-C4'-P energy: -9.297
tors. eta vs tors. theta energy: -11.526
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: 5, replica: 8
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -156.498032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.498032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.498032 (E_RNA)
where:
Base-Base interactions energy: -86.623
where: short stacking energy: -41.096
Base-Backbone interact. energy: -0.959
local terms energy: -68.915816
where:
bonds (distance) C4'-P energy: -10.451
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -12.790
tors. eta vs tors. theta energy: -15.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -116.254016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.254016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.254016 (E_RNA)
where:
Base-Base interactions energy: -56.203
where: short stacking energy: -39.036
Base-Backbone interact. energy: -0.028
local terms energy: -60.023370
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -14.275
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: -9.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -91.655299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.655299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.655299 (E_RNA)
where:
Base-Base interactions energy: -41.017
where: short stacking energy: -41.017
Base-Backbone interact. energy: 0.103
local terms energy: -50.741552
where:
bonds (distance) C4'-P energy: -11.689
bonds (distance) P-C4' energy: -11.190
flat angles C4'-P-C4' energy: -16.075
flat angles P-C4'-P energy: -5.832
tors. eta vs tors. theta energy: -5.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -83.436073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.436073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.436073 (E_RNA)
where:
Base-Base interactions energy: -26.725
where: short stacking energy: -24.677
Base-Backbone interact. energy: -0.180
local terms energy: -56.530166
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -17.345
flat angles C4'-P-C4' energy: -14.663
flat angles P-C4'-P energy: -10.686
tors. eta vs tors. theta energy: 0.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -90.284968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.284968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.284968 (E_RNA)
where:
Base-Base interactions energy: -38.003
where: short stacking energy: -32.796
Base-Backbone interact. energy: 1.485
local terms energy: -53.767548
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -14.574
flat angles C4'-P-C4' energy: -11.424
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: -4.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -87.450461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.450461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.450461 (E_RNA)
where:
Base-Base interactions energy: -31.008
where: short stacking energy: -27.408
Base-Backbone interact. energy: -0.136
local terms energy: -56.306783
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -14.292
flat angles P-C4'-P energy: -5.575
tors. eta vs tors. theta energy: -7.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -213.757193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.757193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.757193 (E_RNA)
where:
Base-Base interactions energy: -149.124
where: short stacking energy: -52.690
Base-Backbone interact. energy: -0.152
local terms energy: -64.481038
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -15.565
flat angles C4'-P-C4' energy: -12.134
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -11.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -200.223017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.223017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.223017 (E_RNA)
where:
Base-Base interactions energy: -135.166
where: short stacking energy: -59.149
Base-Backbone interact. energy: -0.048
local terms energy: -65.008935
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -13.257
flat angles P-C4'-P energy: -9.946
tors. eta vs tors. theta energy: -15.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -186.115122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.115122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.115122 (E_RNA)
where:
Base-Base interactions energy: -120.895
where: short stacking energy: -59.541
Base-Backbone interact. energy: 3.735
local terms energy: -68.955129
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -13.831
flat angles P-C4'-P energy: -9.857
tors. eta vs tors. theta energy: -14.723
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: 4
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -182.542868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.542868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.542868 (E_RNA)
where:
Base-Base interactions energy: -123.944
where: short stacking energy: -55.822
Base-Backbone interact. energy: -0.670
local terms energy: -57.928848
where:
bonds (distance) C4'-P energy: -8.190
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -11.431
flat angles P-C4'-P energy: -9.896
tors. eta vs tors. theta energy: -12.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -152.375185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.375185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.375185 (E_RNA)
where:
Base-Base interactions energy: -80.709
where: short stacking energy: -44.705
Base-Backbone interact. energy: -0.045
local terms energy: -71.620646
where:
bonds (distance) C4'-P energy: -14.516
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -14.887
flat angles P-C4'-P energy: -12.404
tors. eta vs tors. theta energy: -11.639
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: 6
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -137.661152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.661152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.661152 (E_RNA)
where:
Base-Base interactions energy: -88.730
where: short stacking energy: -49.338
Base-Backbone interact. energy: -0.139
local terms energy: -48.792875
where:
bonds (distance) C4'-P energy: -10.899
bonds (distance) P-C4' energy: -11.335
flat angles C4'-P-C4' energy: -11.206
flat angles P-C4'-P energy: -10.327
tors. eta vs tors. theta energy: -5.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -95.104121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.104121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.104121 (E_RNA)
where:
Base-Base interactions energy: -35.956
where: short stacking energy: -25.869
Base-Backbone interact. energy: -0.675
local terms energy: -58.472370
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -10.830
flat angles P-C4'-P energy: -11.968
tors. eta vs tors. theta energy: -3.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -111.104951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.104951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.104951 (E_RNA)
where:
Base-Base interactions energy: -45.618
where: short stacking energy: -45.479
Base-Backbone interact. energy: -0.038
local terms energy: -65.448644
where:
bonds (distance) C4'-P energy: -11.469
bonds (distance) P-C4' energy: -12.564
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -11.865
tors. eta vs tors. theta energy: -14.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -91.210096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.210096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.210096 (E_RNA)
where:
Base-Base interactions energy: -38.301
where: short stacking energy: -38.301
Base-Backbone interact. energy: -0.010
local terms energy: -52.899222
where:
bonds (distance) C4'-P energy: -15.606
bonds (distance) P-C4' energy: -12.178
flat angles C4'-P-C4' energy: -15.559
flat angles P-C4'-P energy: -8.037
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: 354
Temperature: 1.350000
Total energy: -84.684518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.684518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.684518 (E_RNA)
where:
Base-Base interactions energy: -24.304
where: short stacking energy: -22.335
Base-Backbone interact. energy: 0.288
local terms energy: -60.667650
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -14.931
flat angles C4'-P-C4' energy: -13.222
flat angles P-C4'-P energy: -8.794
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: 1, replica: 2
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -199.330439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.330439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.330439 (E_RNA)
where:
Base-Base interactions energy: -134.727
where: short stacking energy: -59.496
Base-Backbone interact. energy: -0.650
local terms energy: -63.953171
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -5.993
tors. eta vs tors. theta energy: -12.547
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: 3
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -187.234549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.234549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.234549 (E_RNA)
where:
Base-Base interactions energy: -106.219
where: short stacking energy: -71.475
Base-Backbone interact. energy: -1.128
local terms energy: -79.887356
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -14.200
flat angles C4'-P-C4' energy: -16.849
flat angles P-C4'-P energy: -14.251
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: 3, replica: 5
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -189.623174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.623174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.623174 (E_RNA)
where:
Base-Base interactions energy: -118.337
where: short stacking energy: -60.343
Base-Backbone interact. energy: -0.744
local terms energy: -70.542369
where:
bonds (distance) C4'-P energy: -13.968
bonds (distance) P-C4' energy: -16.932
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -11.227
tors. eta vs tors. theta energy: -14.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -171.184277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.184277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.184277 (E_RNA)
where:
Base-Base interactions energy: -120.399
where: short stacking energy: -46.550
Base-Backbone interact. energy: -0.059
local terms energy: -50.726580
where:
bonds (distance) C4'-P energy: -9.494
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -15.876
flat angles P-C4'-P energy: -3.685
tors. eta vs tors. theta energy: -5.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -161.851067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.851067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.851067 (E_RNA)
where:
Base-Base interactions energy: -93.345
where: short stacking energy: -52.668
Base-Backbone interact. energy: -0.003
local terms energy: -68.502925
where:
bonds (distance) C4'-P energy: -17.063
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -8.608
tors. eta vs tors. theta energy: -14.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -123.718088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.718088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.718088 (E_RNA)
where:
Base-Base interactions energy: -72.251
where: short stacking energy: -41.575
Base-Backbone interact. energy: -0.014
local terms energy: -51.453542
where:
bonds (distance) C4'-P energy: -16.279
bonds (distance) P-C4' energy: -9.922
flat angles C4'-P-C4' energy: -12.643
flat angles P-C4'-P energy: -7.326
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: 7, replica: 9
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -99.834112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.834112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.834112 (E_RNA)
where:
Base-Base interactions energy: -41.238
where: short stacking energy: -32.949
Base-Backbone interact. energy: 0.574
local terms energy: -59.169719
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -14.094
flat angles C4'-P-C4' energy: -12.312
flat angles P-C4'-P energy: -9.910
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: 8, replica: 10
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -93.715838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.715838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.715838 (E_RNA)
where:
Base-Base interactions energy: -44.733
where: short stacking energy: -44.176
Base-Backbone interact. energy: -0.010
local terms energy: -48.972372
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -13.362
flat angles C4'-P-C4' energy: -9.409
flat angles P-C4'-P energy: -6.274
tors. eta vs tors. theta energy: -6.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -85.835498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.835498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.835498 (E_RNA)
where:
Base-Base interactions energy: -39.240
where: short stacking energy: -31.844
Base-Backbone interact. energy: 0.407
local terms energy: -47.002679
where:
bonds (distance) C4'-P energy: -12.315
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -8.020
flat angles P-C4'-P energy: -8.421
tors. eta vs tors. theta energy: -2.617
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: 7
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -92.590665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.590665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.590665 (E_RNA)
where:
Base-Base interactions energy: -40.668
where: short stacking energy: -30.171
Base-Backbone interact. energy: -0.920
local terms energy: -51.002897
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -12.113
flat angles C4'-P-C4' energy: -12.745
flat angles P-C4'-P energy: -6.186
tors. eta vs tors. theta energy: -5.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -204.571154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.571154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.571154 (E_RNA)
where:
Base-Base interactions energy: -137.044
where: short stacking energy: -66.546
Base-Backbone interact. energy: -0.071
local terms energy: -67.456792
where:
bonds (distance) C4'-P energy: -10.108
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -14.335
flat angles P-C4'-P energy: -11.126
tors. eta vs tors. theta energy: -17.024
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: 2, replica: 3
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -186.933700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.933700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.933700 (E_RNA)
where:
Base-Base interactions energy: -114.970
where: short stacking energy: -64.304
Base-Backbone interact. energy: -0.051
local terms energy: -71.912863
where:
bonds (distance) C4'-P energy: -11.589
bonds (distance) P-C4' energy: -15.094
flat angles C4'-P-C4' energy: -14.061
flat angles P-C4'-P energy: -13.168
tors. eta vs tors. theta energy: -18.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -188.614427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.614427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.614427 (E_RNA)
where:
Base-Base interactions energy: -114.609
where: short stacking energy: -56.941
Base-Backbone interact. energy: -0.018
local terms energy: -73.987116
where:
bonds (distance) C4'-P energy: -11.734
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -12.932
tors. eta vs tors. theta energy: -16.606
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: 4
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -168.343140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.343140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.343140 (E_RNA)
where:
Base-Base interactions energy: -109.322
where: short stacking energy: -48.574
Base-Backbone interact. energy: -0.945
local terms energy: -58.076363
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -15.008
flat angles C4'-P-C4' energy: -14.330
flat angles P-C4'-P energy: -10.400
tors. eta vs tors. theta energy: -4.836
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: 5, replica: 8
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -167.434248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.434248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.434248 (E_RNA)
where:
Base-Base interactions energy: -99.688
where: short stacking energy: -51.926
Base-Backbone interact. energy: -0.011
local terms energy: -67.735507
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -14.468
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: -17.557
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: 6
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -124.871975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.871975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.871975 (E_RNA)
where:
Base-Base interactions energy: -73.489
where: short stacking energy: -36.246
Base-Backbone interact. energy: -0.111
local terms energy: -51.272755
where:
bonds (distance) C4'-P energy: -11.358
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -4.530
tors. eta vs tors. theta energy: -4.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -93.603015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.603015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.603015 (E_RNA)
where:
Base-Base interactions energy: -35.104
where: short stacking energy: -22.927
Base-Backbone interact. energy: -0.075
local terms energy: -58.424449
where:
bonds (distance) C4'-P energy: -16.698
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -11.867
flat angles P-C4'-P energy: -6.583
tors. eta vs tors. theta energy: -5.533
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: 9
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -93.415815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.415815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.415815 (E_RNA)
where:
Base-Base interactions energy: -44.459
where: short stacking energy: -37.326
Base-Backbone interact. energy: 0.319
local terms energy: -49.275957
where:
bonds (distance) C4'-P energy: -11.651
bonds (distance) P-C4' energy: -13.395
flat angles C4'-P-C4' energy: -12.961
flat angles P-C4'-P energy: -5.698
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: 9, replica: 7
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -78.756303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.756303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.756303 (E_RNA)
where:
Base-Base interactions energy: -23.468
where: short stacking energy: -22.081
Base-Backbone interact. energy: -0.304
local terms energy: -54.983856
where:
bonds (distance) C4'-P energy: -14.524
bonds (distance) P-C4' energy: -11.388
flat angles C4'-P-C4' energy: -12.320
flat angles P-C4'-P energy: -10.675
tors. eta vs tors. theta energy: -6.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -79.444668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.444668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.444668 (E_RNA)
where:
Base-Base interactions energy: -32.735
where: short stacking energy: -26.473
Base-Backbone interact. energy: -0.451
local terms energy: -46.258937
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -13.222
flat angles C4'-P-C4' energy: -14.838
flat angles P-C4'-P energy: -3.539
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: 1, replica: 2
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -200.252667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.252667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.252667 (E_RNA)
where:
Base-Base interactions energy: -130.786
where: short stacking energy: -55.619
Base-Backbone interact. energy: -0.178
local terms energy: -69.289353
where:
bonds (distance) C4'-P energy: -16.566
bonds (distance) P-C4' energy: -14.207
flat angles C4'-P-C4' energy: -13.551
flat angles P-C4'-P energy: -12.365
tors. eta vs tors. theta energy: -12.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -201.194386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.194386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.194386 (E_RNA)
where:
Base-Base interactions energy: -132.944
where: short stacking energy: -61.085
Base-Backbone interact. energy: -1.058
local terms energy: -67.192061
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -16.573
flat angles P-C4'-P energy: -6.631
tors. eta vs tors. theta energy: -13.474
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: 3, replica: 3
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -173.892707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.892707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.892707 (E_RNA)
where:
Base-Base interactions energy: -105.962
where: short stacking energy: -54.293
Base-Backbone interact. energy: -0.886
local terms energy: -67.044637
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -15.268
flat angles P-C4'-P energy: -9.155
tors. eta vs tors. theta energy: -13.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -180.007695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.007695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.007695 (E_RNA)
where:
Base-Base interactions energy: -117.105
where: short stacking energy: -48.293
Base-Backbone interact. energy: -1.216
local terms energy: -61.686605
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -13.597
flat angles C4'-P-C4' energy: -15.267
flat angles P-C4'-P energy: -8.390
tors. eta vs tors. theta energy: -9.974
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: 8
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -172.026597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.026597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.026597 (E_RNA)
where:
Base-Base interactions energy: -101.214
where: short stacking energy: -47.925
Base-Backbone interact. energy: -1.438
local terms energy: -69.374299
where:
bonds (distance) C4'-P energy: -11.002
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: -15.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -110.965724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.965724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.965724 (E_RNA)
where:
Base-Base interactions energy: -49.756
where: short stacking energy: -49.362
Base-Backbone interact. energy: -0.024
local terms energy: -61.185783
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -11.688
flat angles C4'-P-C4' energy: -12.143
flat angles P-C4'-P energy: -11.072
tors. eta vs tors. theta energy: -14.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -125.612617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.612617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.612617 (E_RNA)
where:
Base-Base interactions energy: -71.577
where: short stacking energy: -49.103
Base-Backbone interact. energy: -0.451
local terms energy: -53.584820
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -13.575
flat angles C4'-P-C4' energy: -12.956
flat angles P-C4'-P energy: -2.269
tors. eta vs tors. theta energy: -9.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -115.867929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.867929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.867929 (E_RNA)
where:
Base-Base interactions energy: -67.113
where: short stacking energy: -35.955
Base-Backbone interact. energy: -0.163
local terms energy: -48.591904
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -13.064
flat angles P-C4'-P energy: -5.803
tors. eta vs tors. theta energy: -2.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -80.861539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.861539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.861539 (E_RNA)
where:
Base-Base interactions energy: -47.704
where: short stacking energy: -35.710
Base-Backbone interact. energy: -0.028
local terms energy: -33.129575
where:
bonds (distance) C4'-P energy: -5.102
bonds (distance) P-C4' energy: -11.008
flat angles C4'-P-C4' energy: -11.511
flat angles P-C4'-P energy: -4.692
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: 1
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -73.328685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.328685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.328685 (E_RNA)
where:
Base-Base interactions energy: -24.251
where: short stacking energy: -24.251
Base-Backbone interact. energy: -0.100
local terms energy: -48.977971
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -11.066
flat angles P-C4'-P energy: -9.415
tors. eta vs tors. theta energy: 0.815
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: 1, replica: 5
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -200.574486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.574486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.574486 (E_RNA)
where:
Base-Base interactions energy: -134.377
where: short stacking energy: -59.733
Base-Backbone interact. energy: -0.157
local terms energy: -66.040513
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -12.763
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -8.651
tors. eta vs tors. theta energy: -12.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -197.790137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.790137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.790137 (E_RNA)
where:
Base-Base interactions energy: -133.852
where: short stacking energy: -57.768
Base-Backbone interact. energy: -0.082
local terms energy: -63.855795
where:
bonds (distance) C4'-P energy: -13.557
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -11.435
flat angles P-C4'-P energy: -11.696
tors. eta vs tors. theta energy: -13.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -182.417687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.417687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.417687 (E_RNA)
where:
Base-Base interactions energy: -115.263
where: short stacking energy: -51.772
Base-Backbone interact. energy: -0.641
local terms energy: -66.514179
where:
bonds (distance) C4'-P energy: -14.890
bonds (distance) P-C4' energy: -14.386
flat angles C4'-P-C4' energy: -14.527
flat angles P-C4'-P energy: -13.433
tors. eta vs tors. theta energy: -9.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -160.656972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.656972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.656972 (E_RNA)
where:
Base-Base interactions energy: -90.397
where: short stacking energy: -53.171
Base-Backbone interact. energy: -0.072
local terms energy: -70.188695
where:
bonds (distance) C4'-P energy: -15.276
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -13.858
flat angles P-C4'-P energy: -12.618
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: 5, replica: 8
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -172.450416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.450416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.450416 (E_RNA)
where:
Base-Base interactions energy: -109.066
where: short stacking energy: -53.015
Base-Backbone interact. energy: -0.274
local terms energy: -63.110025
where:
bonds (distance) C4'-P energy: -12.057
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -7.827
tors. eta vs tors. theta energy: -12.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -98.150983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.150983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.150983 (E_RNA)
where:
Base-Base interactions energy: -45.307
where: short stacking energy: -43.371
Base-Backbone interact. energy: -0.017
local terms energy: -52.826992
where:
bonds (distance) C4'-P energy: -9.082
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -9.386
flat angles P-C4'-P energy: -10.681
tors. eta vs tors. theta energy: -8.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -94.241051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.241051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.241051 (E_RNA)
where:
Base-Base interactions energy: -38.512
where: short stacking energy: -37.819
Base-Backbone interact. energy: -0.011
local terms energy: -55.717643
where:
bonds (distance) C4'-P energy: -16.124
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -15.799
flat angles P-C4'-P energy: -3.047
tors. eta vs tors. theta energy: -5.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -90.577155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.577155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.577155 (E_RNA)
where:
Base-Base interactions energy: -37.876
where: short stacking energy: -32.660
Base-Backbone interact. energy: -0.147
local terms energy: -52.554638
where:
bonds (distance) C4'-P energy: -9.360
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -13.233
flat angles P-C4'-P energy: -8.064
tors. eta vs tors. theta energy: -6.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -80.085216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.085216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.085216 (E_RNA)
where:
Base-Base interactions energy: -28.521
where: short stacking energy: -28.521
Base-Backbone interact. energy: -0.079
local terms energy: -51.485846
where:
bonds (distance) C4'-P energy: -10.103
bonds (distance) P-C4' energy: -12.486
flat angles C4'-P-C4' energy: -12.420
flat angles P-C4'-P energy: -9.178
tors. eta vs tors. theta energy: -7.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -81.232157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.232157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.232157 (E_RNA)
where:
Base-Base interactions energy: -36.735
where: short stacking energy: -26.828
Base-Backbone interact. energy: -0.483
local terms energy: -44.013393
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -8.494
flat angles C4'-P-C4' energy: -14.753
flat angles P-C4'-P energy: -8.354
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: 5
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -200.615639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.615639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.615639 (E_RNA)
where:
Base-Base interactions energy: -137.603
where: short stacking energy: -61.780
Base-Backbone interact. energy: -0.420
local terms energy: -62.592534
where:
bonds (distance) C4'-P energy: -11.756
bonds (distance) P-C4' energy: -12.360
flat angles C4'-P-C4' energy: -15.214
flat angles P-C4'-P energy: -11.804
tors. eta vs tors. theta energy: -11.458
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: 4
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -191.253237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.253237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.253237 (E_RNA)
where:
Base-Base interactions energy: -122.567
where: short stacking energy: -47.140
Base-Backbone interact. energy: -0.417
local terms energy: -68.269506
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -16.444
flat angles P-C4'-P energy: -9.588
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: 3, replica: 2
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -178.261438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.261438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.261438 (E_RNA)
where:
Base-Base interactions energy: -112.347
where: short stacking energy: -58.559
Base-Backbone interact. energy: -0.031
local terms energy: -65.883235
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -12.794
flat angles P-C4'-P energy: -11.944
tors. eta vs tors. theta energy: -12.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -165.846406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.846406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.846406 (E_RNA)
where:
Base-Base interactions energy: -96.665
where: short stacking energy: -53.831
Base-Backbone interact. energy: -0.418
local terms energy: -68.763530
where:
bonds (distance) C4'-P energy: -13.947
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -15.301
flat angles P-C4'-P energy: -10.431
tors. eta vs tors. theta energy: -12.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -150.313095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.313095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.313095 (E_RNA)
where:
Base-Base interactions energy: -85.203
where: short stacking energy: -44.661
Base-Backbone interact. energy: -0.090
local terms energy: -65.019874
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -15.417
flat angles C4'-P-C4' energy: -8.779
flat angles P-C4'-P energy: -12.037
tors. eta vs tors. theta energy: -12.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -105.903119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.903119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.903119 (E_RNA)
where:
Base-Base interactions energy: -60.897
where: short stacking energy: -41.677
Base-Backbone interact. energy: 0.551
local terms energy: -45.556933
where:
bonds (distance) C4'-P energy: -9.338
bonds (distance) P-C4' energy: -12.741
flat angles C4'-P-C4' energy: -10.879
flat angles P-C4'-P energy: -5.582
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: 7, replica: 10
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -109.495470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.495470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.495470 (E_RNA)
where:
Base-Base interactions energy: -45.096
where: short stacking energy: -45.285
Base-Backbone interact. energy: -0.151
local terms energy: -64.248952
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -13.987
flat angles P-C4'-P energy: -9.598
tors. eta vs tors. theta energy: -9.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -84.032991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.032991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.032991 (E_RNA)
where:
Base-Base interactions energy: -36.262
where: short stacking energy: -18.837
Base-Backbone interact. energy: 0.948
local terms energy: -48.719270
where:
bonds (distance) C4'-P energy: -11.188
bonds (distance) P-C4' energy: -18.694
flat angles C4'-P-C4' energy: -13.371
flat angles P-C4'-P energy: -9.135
tors. eta vs tors. theta energy: 3.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -86.322761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.322761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.322761 (E_RNA)
where:
Base-Base interactions energy: -35.553
where: short stacking energy: -29.102
Base-Backbone interact. energy: -0.420
local terms energy: -50.350328
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -15.493
flat angles C4'-P-C4' energy: -14.374
flat angles P-C4'-P energy: -6.748
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: 7
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -119.578901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.578901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.578901 (E_RNA)
where:
Base-Base interactions energy: -65.905
where: short stacking energy: -33.468
Base-Backbone interact. energy: -0.063
local terms energy: -53.610766
where:
bonds (distance) C4'-P energy: -10.694
bonds (distance) P-C4' energy: -16.947
flat angles C4'-P-C4' energy: -10.907
flat angles P-C4'-P energy: -10.302
tors. eta vs tors. theta energy: -4.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -214.931731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.931731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.931731 (E_RNA)
where:
Base-Base interactions energy: -148.665
where: short stacking energy: -49.135
Base-Backbone interact. energy: -0.107
local terms energy: -66.159332
where:
bonds (distance) C4'-P energy: -17.178
bonds (distance) P-C4' energy: -15.141
flat angles C4'-P-C4' energy: -16.228
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: -8.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -194.026083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.026083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.026083 (E_RNA)
where:
Base-Base interactions energy: -115.836
where: short stacking energy: -61.553
Base-Backbone interact. energy: -0.013
local terms energy: -78.177006
where:
bonds (distance) C4'-P energy: -16.069
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -13.462
flat angles P-C4'-P energy: -12.803
tors. eta vs tors. theta energy: -18.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -181.203408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.203408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.203408 (E_RNA)
where:
Base-Base interactions energy: -108.385
where: short stacking energy: -61.146
Base-Backbone interact. energy: -0.018
local terms energy: -72.800019
where:
bonds (distance) C4'-P energy: -16.836
bonds (distance) P-C4' energy: -13.508
flat angles C4'-P-C4' energy: -14.166
flat angles P-C4'-P energy: -10.754
tors. eta vs tors. theta energy: -17.536
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: 2
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -178.573672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.573672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.573672 (E_RNA)
where:
Base-Base interactions energy: -116.109
where: short stacking energy: -49.237
Base-Backbone interact. energy: -0.607
local terms energy: -61.857710
where:
bonds (distance) C4'-P energy: -13.458
bonds (distance) P-C4' energy: -12.056
flat angles C4'-P-C4' energy: -14.836
flat angles P-C4'-P energy: -11.724
tors. eta vs tors. theta energy: -9.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -162.178137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.178137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.178137 (E_RNA)
where:
Base-Base interactions energy: -85.203
where: short stacking energy: -52.153
Base-Backbone interact. energy: -1.856
local terms energy: -75.119670
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -17.982
flat angles P-C4'-P energy: -9.283
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: 6, replica: 6
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -97.419268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.419268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.419268 (E_RNA)
where:
Base-Base interactions energy: -46.077
where: short stacking energy: -38.996
Base-Backbone interact. energy: -1.758
local terms energy: -49.584422
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -10.272
flat angles P-C4'-P energy: -4.355
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: 7, replica: 10
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -91.462245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.462245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.462245 (E_RNA)
where:
Base-Base interactions energy: -43.938
where: short stacking energy: -40.726
Base-Backbone interact. energy: -0.049
local terms energy: -47.475267
where:
bonds (distance) C4'-P energy: -9.291
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -13.961
flat angles P-C4'-P energy: -5.834
tors. eta vs tors. theta energy: -2.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -86.240420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.240420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.240420 (E_RNA)
where:
Base-Base interactions energy: -33.839
where: short stacking energy: -33.938
Base-Backbone interact. energy: -0.102
local terms energy: -52.298470
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -12.368
flat angles P-C4'-P energy: -12.451
tors. eta vs tors. theta energy: -1.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -88.966744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.966744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.966744 (E_RNA)
where:
Base-Base interactions energy: -35.985
where: short stacking energy: -36.485
Base-Backbone interact. energy: -0.056
local terms energy: -52.925657
where:
bonds (distance) C4'-P energy: -7.027
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -15.270
flat angles P-C4'-P energy: -7.272
tors. eta vs tors. theta energy: -6.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -82.009833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.009833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.009833 (E_RNA)
where:
Base-Base interactions energy: -26.530
where: short stacking energy: -26.427
Base-Backbone interact. energy: -0.028
local terms energy: -55.451660
where:
bonds (distance) C4'-P energy: -15.262
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -7.768
flat angles P-C4'-P energy: -11.975
tors. eta vs tors. theta energy: -3.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -198.572505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.572505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.572505 (E_RNA)
where:
Base-Base interactions energy: -138.012
where: short stacking energy: -54.517
Base-Backbone interact. energy: -0.458
local terms energy: -60.102632
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -15.175
flat angles P-C4'-P energy: -7.930
tors. eta vs tors. theta energy: -8.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -186.702854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.702854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.702854 (E_RNA)
where:
Base-Base interactions energy: -113.144
where: short stacking energy: -53.826
Base-Backbone interact. energy: -0.312
local terms energy: -73.247044
where:
bonds (distance) C4'-P energy: -16.813
bonds (distance) P-C4' energy: -15.051
flat angles C4'-P-C4' energy: -16.014
flat angles P-C4'-P energy: -9.273
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: 3, replica: 8
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -173.709291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.709291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.709291 (E_RNA)
where:
Base-Base interactions energy: -99.959
where: short stacking energy: -53.893
Base-Backbone interact. energy: -0.038
local terms energy: -73.712788
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -13.794
flat angles P-C4'-P energy: -9.583
tors. eta vs tors. theta energy: -16.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -176.855894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.855894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.855894 (E_RNA)
where:
Base-Base interactions energy: -100.869
where: short stacking energy: -58.413
Base-Backbone interact. energy: -0.084
local terms energy: -75.902662
where:
bonds (distance) C4'-P energy: -16.913
bonds (distance) P-C4' energy: -13.425
flat angles C4'-P-C4' energy: -17.261
flat angles P-C4'-P energy: -9.699
tors. eta vs tors. theta energy: -18.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -157.562120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.562120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.562120 (E_RNA)
where:
Base-Base interactions energy: -97.843
where: short stacking energy: -50.967
Base-Backbone interact. energy: -0.126
local terms energy: -59.593698
where:
bonds (distance) C4'-P energy: -11.606
bonds (distance) P-C4' energy: -12.806
flat angles C4'-P-C4' energy: -13.285
flat angles P-C4'-P energy: -8.283
tors. eta vs tors. theta energy: -13.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -101.047357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.047357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.047357 (E_RNA)
where:
Base-Base interactions energy: -47.178
where: short stacking energy: -39.558
Base-Backbone interact. energy: 0.158
local terms energy: -54.027156
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -12.442
flat angles P-C4'-P energy: -5.167
tors. eta vs tors. theta energy: -8.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -92.040480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.040480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.040480 (E_RNA)
where:
Base-Base interactions energy: -33.127
where: short stacking energy: -32.478
Base-Backbone interact. energy: -0.266
local terms energy: -58.647343
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -10.420
flat angles C4'-P-C4' energy: -14.762
flat angles P-C4'-P energy: -11.712
tors. eta vs tors. theta energy: -5.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -91.288237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.288237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.288237 (E_RNA)
where:
Base-Base interactions energy: -42.089
where: short stacking energy: -39.127
Base-Backbone interact. energy: -1.222
local terms energy: -47.976595
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -9.670
flat angles C4'-P-C4' energy: -11.233
flat angles P-C4'-P energy: -7.409
tors. eta vs tors. theta energy: -7.329
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: 361
Temperature: 1.300000
Total energy: -102.805113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.805113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.805113 (E_RNA)
where:
Base-Base interactions energy: -54.314
where: short stacking energy: -26.567
Base-Backbone interact. energy: -1.186
local terms energy: -47.304976
where:
bonds (distance) C4'-P energy: -15.655
bonds (distance) P-C4' energy: -10.341
flat angles C4'-P-C4' energy: -9.570
flat angles P-C4'-P energy: -7.793
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: 9
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -80.624914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.624914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.624914 (E_RNA)
where:
Base-Base interactions energy: -28.536
where: short stacking energy: -28.536
Base-Backbone interact. energy: -0.091
local terms energy: -51.998507
where:
bonds (distance) C4'-P energy: -9.549
bonds (distance) P-C4' energy: -17.418
flat angles C4'-P-C4' energy: -14.741
flat angles P-C4'-P energy: -7.709
tors. eta vs tors. theta energy: -2.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -205.582183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.582183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.582183 (E_RNA)
where:
Base-Base interactions energy: -130.193
where: short stacking energy: -62.275
Base-Backbone interact. energy: -0.750
local terms energy: -74.639058
where:
bonds (distance) C4'-P energy: -15.516
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -15.477
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: -16.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -196.857036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.857036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.857036 (E_RNA)
where:
Base-Base interactions energy: -128.045
where: short stacking energy: -50.956
Base-Backbone interact. energy: -0.004
local terms energy: -68.808102
where:
bonds (distance) C4'-P energy: -13.115
bonds (distance) P-C4' energy: -17.420
flat angles C4'-P-C4' energy: -14.965
flat angles P-C4'-P energy: -10.003
tors. eta vs tors. theta energy: -13.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -192.772311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.772311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.772311 (E_RNA)
where:
Base-Base interactions energy: -116.811
where: short stacking energy: -66.593
Base-Backbone interact. energy: 0.597
local terms energy: -76.557985
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -11.435
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: 4, replica: 8
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -175.182546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.182546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.182546 (E_RNA)
where:
Base-Base interactions energy: -113.784
where: short stacking energy: -51.404
Base-Backbone interact. energy: -0.165
local terms energy: -61.233773
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -12.707
flat angles C4'-P-C4' energy: -11.827
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: -13.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -145.071545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.071545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.071545 (E_RNA)
where:
Base-Base interactions energy: -77.373
where: short stacking energy: -41.687
Base-Backbone interact. energy: -0.058
local terms energy: -67.640834
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -16.880
flat angles C4'-P-C4' energy: -16.009
flat angles P-C4'-P energy: -12.232
tors. eta vs tors. theta energy: -10.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -105.590402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.590402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.590402 (E_RNA)
where:
Base-Base interactions energy: -56.027
where: short stacking energy: -29.603
Base-Backbone interact. energy: 0.802
local terms energy: -50.366204
where:
bonds (distance) C4'-P energy: -8.095
bonds (distance) P-C4' energy: -12.211
flat angles C4'-P-C4' energy: -16.784
flat angles P-C4'-P energy: -9.666
tors. eta vs tors. theta energy: -3.610
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: 7, replica: 7
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -102.521854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.521854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.521854 (E_RNA)
where:
Base-Base interactions energy: -46.528
where: short stacking energy: -29.951
Base-Backbone interact. energy: -0.016
local terms energy: -55.977945
where:
bonds (distance) C4'-P energy: -16.210
bonds (distance) P-C4' energy: -14.358
flat angles C4'-P-C4' energy: -13.164
flat angles P-C4'-P energy: -11.732
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: 8, replica: 10
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -105.152485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.152485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.152485 (E_RNA)
where:
Base-Base interactions energy: -42.496
where: short stacking energy: -35.287
Base-Backbone interact. energy: -0.145
local terms energy: -62.511898
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -13.519
flat angles P-C4'-P energy: -11.138
tors. eta vs tors. theta energy: -6.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -76.957875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.957875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.957875 (E_RNA)
where:
Base-Base interactions energy: -26.737
where: short stacking energy: -26.737
Base-Backbone interact. energy: -0.089
local terms energy: -50.131798
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -8.989
flat angles P-C4'-P energy: -8.974
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: 10, replica: 1
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -81.361096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.361096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.361096 (E_RNA)
where:
Base-Base interactions energy: -30.283
where: short stacking energy: -24.178
Base-Backbone interact. energy: -0.803
local terms energy: -50.275073
where:
bonds (distance) C4'-P energy: -16.512
bonds (distance) P-C4' energy: -10.700
flat angles C4'-P-C4' energy: -9.401
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: -3.176
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: 5
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -206.639779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.639779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.639779 (E_RNA)
where:
Base-Base interactions energy: -133.093
where: short stacking energy: -59.496
Base-Backbone interact. energy: -0.528
local terms energy: -73.018582
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -15.701
flat angles C4'-P-C4' energy: -16.257
flat angles P-C4'-P energy: -10.122
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: 2, replica: 2
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -197.793484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.793484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.793484 (E_RNA)
where:
Base-Base interactions energy: -134.480
where: short stacking energy: -52.115
Base-Backbone interact. energy: -0.012
local terms energy: -63.300876
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -15.260
flat angles P-C4'-P energy: -7.743
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: 3, replica: 4
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -188.418965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.418965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.418965 (E_RNA)
where:
Base-Base interactions energy: -134.390
where: short stacking energy: -49.353
Base-Backbone interact. energy: -0.138
local terms energy: -53.891530
where:
bonds (distance) C4'-P energy: -15.259
bonds (distance) P-C4' energy: -10.007
flat angles C4'-P-C4' energy: -12.601
flat angles P-C4'-P energy: -8.195
tors. eta vs tors. theta energy: -7.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -186.879879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.879879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.879879 (E_RNA)
where:
Base-Base interactions energy: -119.648
where: short stacking energy: -63.353
Base-Backbone interact. energy: -0.068
local terms energy: -67.163784
where:
bonds (distance) C4'-P energy: -14.300
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -14.680
flat angles P-C4'-P energy: -8.425
tors. eta vs tors. theta energy: -13.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -160.768065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.768065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.768065 (E_RNA)
where:
Base-Base interactions energy: -94.612
where: short stacking energy: -58.903
Base-Backbone interact. energy: -0.011
local terms energy: -66.145060
where:
bonds (distance) C4'-P energy: -8.129
bonds (distance) P-C4' energy: -11.309
flat angles C4'-P-C4' energy: -17.319
flat angles P-C4'-P energy: -9.096
tors. eta vs tors. theta energy: -20.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -108.948921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.948921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.948921 (E_RNA)
where:
Base-Base interactions energy: -44.753
where: short stacking energy: -44.179
Base-Backbone interact. energy: -0.020
local terms energy: -64.175243
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -15.937
flat angles C4'-P-C4' energy: -15.554
flat angles P-C4'-P energy: -9.067
tors. eta vs tors. theta energy: -10.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -86.108937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.108937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.108937 (E_RNA)
where:
Base-Base interactions energy: -34.448
where: short stacking energy: -33.727
Base-Backbone interact. energy: -0.081
local terms energy: -51.579900
where:
bonds (distance) C4'-P energy: -16.284
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -9.021
flat angles P-C4'-P energy: -6.700
tors. eta vs tors. theta energy: -3.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -99.549829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.549829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.549829 (E_RNA)
where:
Base-Base interactions energy: -45.841
where: short stacking energy: -32.310
Base-Backbone interact. energy: -1.055
local terms energy: -52.653365
where:
bonds (distance) C4'-P energy: -11.189
bonds (distance) P-C4' energy: -16.873
flat angles C4'-P-C4' energy: -12.058
flat angles P-C4'-P energy: -7.888
tors. eta vs tors. theta energy: -4.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -82.909950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.909950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.909950 (E_RNA)
where:
Base-Base interactions energy: -33.883
where: short stacking energy: -30.738
Base-Backbone interact. energy: -0.095
local terms energy: -48.932217
where:
bonds (distance) C4'-P energy: -11.474
bonds (distance) P-C4' energy: -10.875
flat angles C4'-P-C4' energy: -8.512
flat angles P-C4'-P energy: -10.012
tors. eta vs tors. theta energy: -8.060
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: 1
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -73.654412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.654412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.654412 (E_RNA)
where:
Base-Base interactions energy: -32.055
where: short stacking energy: -27.432
Base-Backbone interact. energy: -0.312
local terms energy: -41.287380
where:
bonds (distance) C4'-P energy: -7.694
bonds (distance) P-C4' energy: -17.162
flat angles C4'-P-C4' energy: -11.757
flat angles P-C4'-P energy: -6.945
tors. eta vs tors. theta energy: 2.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -210.811359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.811359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.811359 (E_RNA)
where:
Base-Base interactions energy: -145.682
where: short stacking energy: -64.947
Base-Backbone interact. energy: -0.727
local terms energy: -64.402358
where:
bonds (distance) C4'-P energy: -8.232
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -14.973
flat angles P-C4'-P energy: -10.239
tors. eta vs tors. theta energy: -15.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -184.457737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.457737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.457737 (E_RNA)
where:
Base-Base interactions energy: -116.394
where: short stacking energy: -64.421
Base-Backbone interact. energy: 0.692
local terms energy: -68.755657
where:
bonds (distance) C4'-P energy: -14.224
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -16.149
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: -14.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -195.837475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.837475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.837475 (E_RNA)
where:
Base-Base interactions energy: -138.250
where: short stacking energy: -56.933
Base-Backbone interact. energy: -0.089
local terms energy: -57.498603
where:
bonds (distance) C4'-P energy: -6.884
bonds (distance) P-C4' energy: -14.503
flat angles C4'-P-C4' energy: -13.454
flat angles P-C4'-P energy: -3.537
tors. eta vs tors. theta energy: -19.120
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: 4
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -180.553196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.553196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.553196 (E_RNA)
where:
Base-Base interactions energy: -115.845
where: short stacking energy: -51.501
Base-Backbone interact. energy: -0.106
local terms energy: -64.601772
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -13.239
flat angles C4'-P-C4' energy: -15.685
flat angles P-C4'-P energy: -7.619
tors. eta vs tors. theta energy: -12.109
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: 3
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -173.591724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.591724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.591724 (E_RNA)
where:
Base-Base interactions energy: -99.063
where: short stacking energy: -58.877
Base-Backbone interact. energy: -2.373
local terms energy: -72.155461
where:
bonds (distance) C4'-P energy: -13.642
bonds (distance) P-C4' energy: -13.711
flat angles C4'-P-C4' energy: -13.957
flat angles P-C4'-P energy: -15.307
tors. eta vs tors. theta energy: -15.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -97.415125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.415125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.415125 (E_RNA)
where:
Base-Base interactions energy: -46.271
where: short stacking energy: -37.259
Base-Backbone interact. energy: -0.219
local terms energy: -50.924589
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -11.740
flat angles C4'-P-C4' energy: -15.202
flat angles P-C4'-P energy: -5.366
tors. eta vs tors. theta energy: -3.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -98.544508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.544508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.544508 (E_RNA)
where:
Base-Base interactions energy: -44.644
where: short stacking energy: -44.644
Base-Backbone interact. energy: -0.184
local terms energy: -53.717047
where:
bonds (distance) C4'-P energy: -13.220
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -12.443
flat angles P-C4'-P energy: -2.871
tors. eta vs tors. theta energy: -10.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -92.445244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.445244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.445244 (E_RNA)
where:
Base-Base interactions energy: -30.763
where: short stacking energy: -30.542
Base-Backbone interact. energy: -0.111
local terms energy: -61.571340
where:
bonds (distance) C4'-P energy: -12.094
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -16.352
flat angles P-C4'-P energy: -8.621
tors. eta vs tors. theta energy: -6.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -90.566718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.566718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.566718 (E_RNA)
where:
Base-Base interactions energy: -38.313
where: short stacking energy: -35.854
Base-Backbone interact. energy: -0.278
local terms energy: -51.975514
where:
bonds (distance) C4'-P energy: -11.365
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -11.488
flat angles P-C4'-P energy: -7.642
tors. eta vs tors. theta energy: -4.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -80.915617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.915617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.915617 (E_RNA)
where:
Base-Base interactions energy: -32.940
where: short stacking energy: -24.170
Base-Backbone interact. energy: 1.162
local terms energy: -49.137294
where:
bonds (distance) C4'-P energy: -12.450
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -12.104
flat angles P-C4'-P energy: -8.855
tors. eta vs tors. theta energy: -1.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -210.945138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.945138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.945138 (E_RNA)
where:
Base-Base interactions energy: -145.153
where: short stacking energy: -62.548
Base-Backbone interact. energy: -0.158
local terms energy: -65.633415
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -13.661
flat angles P-C4'-P energy: -7.179
tors. eta vs tors. theta energy: -16.710
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: 8
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -198.563490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.563490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.563490 (E_RNA)
where:
Base-Base interactions energy: -127.177
where: short stacking energy: -45.687
Base-Backbone interact. energy: 0.133
local terms energy: -71.519402
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -17.387
flat angles C4'-P-C4' energy: -16.281
flat angles P-C4'-P energy: -11.446
tors. eta vs tors. theta energy: -9.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -188.442242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.442242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.442242 (E_RNA)
where:
Base-Base interactions energy: -113.995
where: short stacking energy: -62.622
Base-Backbone interact. energy: -0.111
local terms energy: -74.336864
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -14.984
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -17.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -186.978116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.978116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.978116 (E_RNA)
where:
Base-Base interactions energy: -123.782
where: short stacking energy: -48.946
Base-Backbone interact. energy: -0.586
local terms energy: -62.610585
where:
bonds (distance) C4'-P energy: -10.703
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -17.724
flat angles P-C4'-P energy: -11.274
tors. eta vs tors. theta energy: -6.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -153.056077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.056077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.056077 (E_RNA)
where:
Base-Base interactions energy: -88.495
where: short stacking energy: -51.635
Base-Backbone interact. energy: -0.206
local terms energy: -64.355185
where:
bonds (distance) C4'-P energy: -10.575
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -12.600
flat angles P-C4'-P energy: -12.304
tors. eta vs tors. theta energy: -14.926
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: 9
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -95.532925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.532925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.532925 (E_RNA)
where:
Base-Base interactions energy: -42.257
where: short stacking energy: -42.257
Base-Backbone interact. energy: -0.092
local terms energy: -53.184420
where:
bonds (distance) C4'-P energy: -9.727
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -13.752
flat angles P-C4'-P energy: -6.801
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: 365
Temperature: 1.200000
Total energy: -92.274438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.274438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.274438 (E_RNA)
where:
Base-Base interactions energy: -38.754
where: short stacking energy: -34.727
Base-Backbone interact. energy: 0.684
local terms energy: -54.204866
where:
bonds (distance) C4'-P energy: -13.091
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -13.977
flat angles P-C4'-P energy: -5.956
tors. eta vs tors. theta energy: -3.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -80.318602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.318602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.318602 (E_RNA)
where:
Base-Base interactions energy: -39.729
where: short stacking energy: -39.729
Base-Backbone interact. energy: -0.082
local terms energy: -40.508315
where:
bonds (distance) C4'-P energy: -15.440
bonds (distance) P-C4' energy: -6.974
flat angles C4'-P-C4' energy: -11.467
flat angles P-C4'-P energy: -5.632
tors. eta vs tors. theta energy: -0.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -84.352877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.352877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.352877 (E_RNA)
where:
Base-Base interactions energy: -33.487
where: short stacking energy: -33.942
Base-Backbone interact. energy: -0.434
local terms energy: -50.432823
where:
bonds (distance) C4'-P energy: -10.826
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -12.652
flat angles P-C4'-P energy: -7.033
tors. eta vs tors. theta energy: -3.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -84.895070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.895070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.895070 (E_RNA)
where:
Base-Base interactions energy: -36.095
where: short stacking energy: -32.439
Base-Backbone interact. energy: -0.303
local terms energy: -48.497184
where:
bonds (distance) C4'-P energy: -9.712
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -8.033
flat angles P-C4'-P energy: -10.252
tors. eta vs tors. theta energy: -4.946
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: 1, replica: 8
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -208.552345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.552345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.552345 (E_RNA)
where:
Base-Base interactions energy: -142.643
where: short stacking energy: -56.860
Base-Backbone interact. energy: 0.495
local terms energy: -66.403801
where:
bonds (distance) C4'-P energy: -11.830
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -14.452
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: -13.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -207.437796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.437796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.437796 (E_RNA)
where:
Base-Base interactions energy: -136.017
where: short stacking energy: -59.907
Base-Backbone interact. energy: -0.392
local terms energy: -71.028750
where:
bonds (distance) C4'-P energy: -16.877
bonds (distance) P-C4' energy: -16.148
flat angles C4'-P-C4' energy: -14.997
flat angles P-C4'-P energy: -9.934
tors. eta vs tors. theta energy: -13.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -193.649381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.649381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.649381 (E_RNA)
where:
Base-Base interactions energy: -122.826
where: short stacking energy: -60.202
Base-Backbone interact. energy: -0.083
local terms energy: -70.740386
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -12.338
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: 4, replica: 5
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -184.593037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.593037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.593037 (E_RNA)
where:
Base-Base interactions energy: -117.962
where: short stacking energy: -68.147
Base-Backbone interact. energy: -0.629
local terms energy: -66.002388
where:
bonds (distance) C4'-P energy: -13.427
bonds (distance) P-C4' energy: -11.980
flat angles C4'-P-C4' energy: -14.028
flat angles P-C4'-P energy: -9.811
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: 3
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -144.087854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.087854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.087854 (E_RNA)
where:
Base-Base interactions energy: -89.061
where: short stacking energy: -42.747
Base-Backbone interact. energy: -0.088
local terms energy: -54.939111
where:
bonds (distance) C4'-P energy: -12.608
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -10.882
flat angles P-C4'-P energy: -7.154
tors. eta vs tors. theta energy: -9.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -87.733165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.733165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.733165 (E_RNA)
where:
Base-Base interactions energy: -38.370
where: short stacking energy: -27.792
Base-Backbone interact. energy: 0.670
local terms energy: -50.033259
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -13.637
flat angles P-C4'-P energy: -5.739
tors. eta vs tors. theta energy: -3.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -100.667619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.667619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.667619 (E_RNA)
where:
Base-Base interactions energy: -50.143
where: short stacking energy: -30.027
Base-Backbone interact. energy: -0.637
local terms energy: -49.887807
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -15.144
flat angles C4'-P-C4' energy: -12.480
flat angles P-C4'-P energy: -2.183
tors. eta vs tors. theta energy: -7.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -92.960567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.960567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.960567 (E_RNA)
where:
Base-Base interactions energy: -34.467
where: short stacking energy: -34.467
Base-Backbone interact. energy: -0.087
local terms energy: -58.406924
where:
bonds (distance) C4'-P energy: -12.580
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -15.683
flat angles P-C4'-P energy: -4.713
tors. eta vs tors. theta energy: -8.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -83.659936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.659936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.659936 (E_RNA)
where:
Base-Base interactions energy: -31.697
where: short stacking energy: -27.817
Base-Backbone interact. energy: -0.037
local terms energy: -51.926392
where:
bonds (distance) C4'-P energy: -11.904
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -11.563
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -3.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -92.372285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.372285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.372285 (E_RNA)
where:
Base-Base interactions energy: -46.852
where: short stacking energy: -36.089
Base-Backbone interact. energy: -0.012
local terms energy: -45.508256
where:
bonds (distance) C4'-P energy: -6.886
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -11.624
flat angles P-C4'-P energy: -6.065
tors. eta vs tors. theta energy: -6.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -204.009093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.009093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.009093 (E_RNA)
where:
Base-Base interactions energy: -134.862
where: short stacking energy: -68.638
Base-Backbone interact. energy: 0.827
local terms energy: -69.974283
where:
bonds (distance) C4'-P energy: -11.324
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -16.411
flat angles P-C4'-P energy: -8.523
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: 2, replica: 2
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -207.489220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.489220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.489220 (E_RNA)
where:
Base-Base interactions energy: -138.018
where: short stacking energy: -61.582
Base-Backbone interact. energy: -0.102
local terms energy: -69.369375
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -12.538
flat angles C4'-P-C4' energy: -15.791
flat angles P-C4'-P energy: -8.418
tors. eta vs tors. theta energy: -18.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -201.313368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.313368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.313368 (E_RNA)
where:
Base-Base interactions energy: -134.813
where: short stacking energy: -60.554
Base-Backbone interact. energy: -0.475
local terms energy: -66.025846
where:
bonds (distance) C4'-P energy: -15.042
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -11.075
flat angles P-C4'-P energy: -9.082
tors. eta vs tors. theta energy: -13.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -198.841778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.841778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.841778 (E_RNA)
where:
Base-Base interactions energy: -132.712
where: short stacking energy: -68.994
Base-Backbone interact. energy: -0.235
local terms energy: -65.893872
where:
bonds (distance) C4'-P energy: -17.410
bonds (distance) P-C4' energy: -13.285
flat angles C4'-P-C4' energy: -14.417
flat angles P-C4'-P energy: -7.786
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: 5, replica: 3
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -148.683375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.683375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.683375 (E_RNA)
where:
Base-Base interactions energy: -80.996
where: short stacking energy: -50.085
Base-Backbone interact. energy: -0.304
local terms energy: -67.382670
where:
bonds (distance) C4'-P energy: -15.378
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -16.690
flat angles P-C4'-P energy: -5.307
tors. eta vs tors. theta energy: -14.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -100.266771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.266771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.266771 (E_RNA)
where:
Base-Base interactions energy: -39.848
where: short stacking energy: -33.738
Base-Backbone interact. energy: 0.873
local terms energy: -61.291910
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -12.629
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: -9.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -97.178723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.178723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.178723 (E_RNA)
where:
Base-Base interactions energy: -41.668
where: short stacking energy: -31.914
Base-Backbone interact. energy: -0.103
local terms energy: -55.407381
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -12.891
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: -10.551
tors. eta vs tors. theta energy: -3.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -87.481355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.481355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.481355 (E_RNA)
where:
Base-Base interactions energy: -31.367
where: short stacking energy: -19.727
Base-Backbone interact. energy: -0.213
local terms energy: -55.901221
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -16.282
flat angles C4'-P-C4' energy: -12.569
flat angles P-C4'-P energy: -9.504
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)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -87.575410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.575410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.575410 (E_RNA)
where:
Base-Base interactions energy: -40.035
where: short stacking energy: -40.035
Base-Backbone interact. energy: -0.129
local terms energy: -47.411732
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -13.037
flat angles C4'-P-C4' energy: -9.166
flat angles P-C4'-P energy: -4.054
tors. eta vs tors. theta energy: -8.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -89.091315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.091315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.091315 (E_RNA)
where:
Base-Base interactions energy: -39.521
where: short stacking energy: -27.519
Base-Backbone interact. energy: -0.103
local terms energy: -49.466801
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -10.693
flat angles C4'-P-C4' energy: -12.303
flat angles P-C4'-P energy: -9.306
tors. eta vs tors. theta energy: -4.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -209.431602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.431602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.431602 (E_RNA)
where:
Base-Base interactions energy: -131.301
where: short stacking energy: -66.158
Base-Backbone interact. energy: -0.203
local terms energy: -77.927413
where:
bonds (distance) C4'-P energy: -8.742
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -16.830
flat angles P-C4'-P energy: -13.064
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: 8
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -202.313881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.313881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.313881 (E_RNA)
where:
Base-Base interactions energy: -134.258
where: short stacking energy: -48.887
Base-Backbone interact. energy: -0.019
local terms energy: -68.037211
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -15.158
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -8.764
tors. eta vs tors. theta energy: -15.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -199.519863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.519863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.519863 (E_RNA)
where:
Base-Base interactions energy: -129.495
where: short stacking energy: -66.153
Base-Backbone interact. energy: -0.119
local terms energy: -69.905639
where:
bonds (distance) C4'-P energy: -9.762
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -15.574
flat angles P-C4'-P energy: -11.431
tors. eta vs tors. theta energy: -16.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -188.693172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.693172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.693172 (E_RNA)
where:
Base-Base interactions energy: -125.475
where: short stacking energy: -50.978
Base-Backbone interact. energy: -0.314
local terms energy: -62.903626
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -14.940
flat angles C4'-P-C4' energy: -15.065
flat angles P-C4'-P energy: -8.681
tors. eta vs tors. theta energy: -7.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -113.964833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.964833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.964833 (E_RNA)
where:
Base-Base interactions energy: -57.464
where: short stacking energy: -44.940
Base-Backbone interact. energy: -0.318
local terms energy: -56.183305
where:
bonds (distance) C4'-P energy: -8.588
bonds (distance) P-C4' energy: -13.182
flat angles C4'-P-C4' energy: -15.807
flat angles P-C4'-P energy: -10.464
tors. eta vs tors. theta energy: -8.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -95.063838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.063838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.063838 (E_RNA)
where:
Base-Base interactions energy: -39.824
where: short stacking energy: -39.824
Base-Backbone interact. energy: -0.066
local terms energy: -55.173928
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -9.102
flat angles P-C4'-P energy: -10.087
tors. eta vs tors. theta energy: -6.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -105.105500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.105500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.105500 (E_RNA)
where:
Base-Base interactions energy: -45.792
where: short stacking energy: -45.792
Base-Backbone interact. energy: -0.158
local terms energy: -59.156085
where:
bonds (distance) C4'-P energy: -14.021
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -9.959
flat angles P-C4'-P energy: -10.895
tors. eta vs tors. theta energy: -7.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -110.755260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.755260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.755260 (E_RNA)
where:
Base-Base interactions energy: -41.148
where: short stacking energy: -40.061
Base-Backbone interact. energy: -0.143
local terms energy: -69.464695
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -13.294
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -12.901
tors. eta vs tors. theta energy: -13.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -77.987215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.987215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.987215 (E_RNA)
where:
Base-Base interactions energy: -27.956
where: short stacking energy: -26.528
Base-Backbone interact. energy: 2.081
local terms energy: -52.112475
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -12.295
flat angles C4'-P-C4' energy: -14.196
flat angles P-C4'-P energy: -10.524
tors. eta vs tors. theta energy: -2.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -92.098683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.098683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.098683 (E_RNA)
where:
Base-Base interactions energy: -40.704
where: short stacking energy: -36.063
Base-Backbone interact. energy: -0.040
local terms energy: -51.355050
where:
bonds (distance) C4'-P energy: -6.891
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -16.012
flat angles P-C4'-P energy: -10.864
tors. eta vs tors. theta energy: -4.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -206.703806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.703806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.703806 (E_RNA)
where:
Base-Base interactions energy: -134.595
where: short stacking energy: -67.392
Base-Backbone interact. energy: -0.191
local terms energy: -71.917447
where:
bonds (distance) C4'-P energy: -13.369
bonds (distance) P-C4' energy: -10.993
flat angles C4'-P-C4' energy: -15.818
flat angles P-C4'-P energy: -11.051
tors. eta vs tors. theta energy: -20.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -208.214093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.214093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.214093 (E_RNA)
where:
Base-Base interactions energy: -138.788
where: short stacking energy: -57.851
Base-Backbone interact. energy: -0.091
local terms energy: -69.335352
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -8.591
tors. eta vs tors. theta energy: -15.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -194.927927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.927927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.927927 (E_RNA)
where:
Base-Base interactions energy: -130.527
where: short stacking energy: -64.320
Base-Backbone interact. energy: 0.172
local terms energy: -64.573685
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -11.796
flat angles C4'-P-C4' energy: -16.547
flat angles P-C4'-P energy: -6.175
tors. eta vs tors. theta energy: -15.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -187.292848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.292848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.292848 (E_RNA)
where:
Base-Base interactions energy: -123.389
where: short stacking energy: -45.944
Base-Backbone interact. energy: -0.257
local terms energy: -63.646694
where:
bonds (distance) C4'-P energy: -11.825
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -16.960
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: -10.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -121.752125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.752125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.752125 (E_RNA)
where:
Base-Base interactions energy: -62.584
where: short stacking energy: -41.716
Base-Backbone interact. energy: -0.028
local terms energy: -59.140729
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -13.911
flat angles P-C4'-P energy: -6.994
tors. eta vs tors. theta energy: -8.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -119.071372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.071372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.071372 (E_RNA)
where:
Base-Base interactions energy: -65.825
where: short stacking energy: -29.314
Base-Backbone interact. energy: -0.154
local terms energy: -53.092828
where:
bonds (distance) C4'-P energy: -13.256
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -10.839
flat angles P-C4'-P energy: -8.047
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: 7, replica: 7
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -101.492155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.492155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.492155 (E_RNA)
where:
Base-Base interactions energy: -49.246
where: short stacking energy: -48.224
Base-Backbone interact. energy: -0.844
local terms energy: -51.401926
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -9.206
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -8.730
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: 8, replica: 9
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -90.527154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.527154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.527154 (E_RNA)
where:
Base-Base interactions energy: -29.768
where: short stacking energy: -29.768
Base-Backbone interact. energy: -0.829
local terms energy: -59.930271
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -17.271
flat angles P-C4'-P energy: -7.029
tors. eta vs tors. theta energy: -7.267
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: 6
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -83.916191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.916191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.916191 (E_RNA)
where:
Base-Base interactions energy: -32.085
where: short stacking energy: -26.677
Base-Backbone interact. energy: -0.162
local terms energy: -51.669257
where:
bonds (distance) C4'-P energy: -14.607
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -15.792
flat angles P-C4'-P energy: -3.527
tors. eta vs tors. theta energy: -1.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -87.595536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.595536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.595536 (E_RNA)
where:
Base-Base interactions energy: -37.886
where: short stacking energy: -37.886
Base-Backbone interact. energy: -0.017
local terms energy: -49.692276
where:
bonds (distance) C4'-P energy: -6.949
bonds (distance) P-C4' energy: -9.881
flat angles C4'-P-C4' energy: -15.342
flat angles P-C4'-P energy: -9.782
tors. eta vs tors. theta energy: -7.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -203.603721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.603721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.603721 (E_RNA)
where:
Base-Base interactions energy: -127.724
where: short stacking energy: -66.372
Base-Backbone interact. energy: -0.306
local terms energy: -75.574517
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -14.741
flat angles P-C4'-P energy: -11.756
tors. eta vs tors. theta energy: -18.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -210.355931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.355931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.355931 (E_RNA)
where:
Base-Base interactions energy: -138.111
where: short stacking energy: -66.128
Base-Backbone interact. energy: -0.007
local terms energy: -72.237881
where:
bonds (distance) C4'-P energy: -17.381
bonds (distance) P-C4' energy: -12.726
flat angles C4'-P-C4' energy: -13.999
flat angles P-C4'-P energy: -9.682
tors. eta vs tors. theta energy: -18.449
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: 5
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -192.661752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.661752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.661752 (E_RNA)
where:
Base-Base interactions energy: -131.435
where: short stacking energy: -49.410
Base-Backbone interact. energy: -0.155
local terms energy: -61.071448
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -16.512
flat angles P-C4'-P energy: -1.230
tors. eta vs tors. theta energy: -14.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -188.337906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.337906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.337906 (E_RNA)
where:
Base-Base interactions energy: -130.630
where: short stacking energy: -53.782
Base-Backbone interact. energy: 3.032
local terms energy: -60.739700
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -13.817
flat angles P-C4'-P energy: -8.930
tors. eta vs tors. theta energy: -8.618
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: 3
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -100.146036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.146036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.146036 (E_RNA)
where:
Base-Base interactions energy: -41.820
where: short stacking energy: -31.860
Base-Backbone interact. energy: -0.051
local terms energy: -58.275057
where:
bonds (distance) C4'-P energy: -14.101
bonds (distance) P-C4' energy: -13.464
flat angles C4'-P-C4' energy: -17.059
flat angles P-C4'-P energy: -9.964
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: 6, replica: 10
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -101.705247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.705247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.705247 (E_RNA)
where:
Base-Base interactions energy: -47.978
where: short stacking energy: -26.831
Base-Backbone interact. energy: -0.360
local terms energy: -53.367086
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -7.108
tors. eta vs tors. theta energy: -3.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -101.574283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.574283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.574283 (E_RNA)
where:
Base-Base interactions energy: -46.775
where: short stacking energy: -39.967
Base-Backbone interact. energy: -0.046
local terms energy: -54.752619
where:
bonds (distance) C4'-P energy: -13.372
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -4.262
flat angles P-C4'-P energy: -12.998
tors. eta vs tors. theta energy: -8.691
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: 7
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -103.403191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.403191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.403191 (E_RNA)
where:
Base-Base interactions energy: -53.154
where: short stacking energy: -35.940
Base-Backbone interact. energy: 1.646
local terms energy: -51.895646
where:
bonds (distance) C4'-P energy: -12.864
bonds (distance) P-C4' energy: -15.351
flat angles C4'-P-C4' energy: -12.748
flat angles P-C4'-P energy: -8.210
tors. eta vs tors. theta energy: -2.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -88.095867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.095867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.095867 (E_RNA)
where:
Base-Base interactions energy: -32.862
where: short stacking energy: -32.862
Base-Backbone interact. energy: -0.106
local terms energy: -55.127933
where:
bonds (distance) C4'-P energy: -12.876
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -15.543
flat angles P-C4'-P energy: -7.033
tors. eta vs tors. theta energy: -3.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -81.971105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.971105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.971105 (E_RNA)
where:
Base-Base interactions energy: -36.059
where: short stacking energy: -33.018
Base-Backbone interact. energy: -0.027
local terms energy: -45.885225
where:
bonds (distance) C4'-P energy: -10.902
bonds (distance) P-C4' energy: -10.060
flat angles C4'-P-C4' energy: -12.591
flat angles P-C4'-P energy: -6.752
tors. eta vs tors. theta energy: -5.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -215.574187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.574187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.574187 (E_RNA)
where:
Base-Base interactions energy: -142.794
where: short stacking energy: -64.598
Base-Backbone interact. energy: -0.044
local terms energy: -72.736576
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -17.857
flat angles P-C4'-P energy: -8.112
tors. eta vs tors. theta energy: -14.669
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: 2
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -209.473877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.473877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.473877 (E_RNA)
where:
Base-Base interactions energy: -134.366
where: short stacking energy: -61.110
Base-Backbone interact. energy: -0.018
local terms energy: -75.090255
where:
bonds (distance) C4'-P energy: -14.641
bonds (distance) P-C4' energy: -15.962
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -17.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -198.275747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.275747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.275747 (E_RNA)
where:
Base-Base interactions energy: -124.492
where: short stacking energy: -59.440
Base-Backbone interact. energy: -0.239
local terms energy: -73.544194
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -12.957
flat angles C4'-P-C4' energy: -16.295
flat angles P-C4'-P energy: -10.903
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: 4, replica: 4
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -170.495853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.495853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.495853 (E_RNA)
where:
Base-Base interactions energy: -101.513
where: short stacking energy: -57.775
Base-Backbone interact. energy: -0.630
local terms energy: -68.353214
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -16.038
flat angles C4'-P-C4' energy: -15.809
flat angles P-C4'-P energy: -12.019
tors. eta vs tors. theta energy: -11.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -99.998852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.998852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.998852 (E_RNA)
where:
Base-Base interactions energy: -46.641
where: short stacking energy: -33.028
Base-Backbone interact. energy: -1.381
local terms energy: -51.977101
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -12.980
flat angles P-C4'-P energy: -8.585
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: 6, replica: 9
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -104.911356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.911356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.911356 (E_RNA)
where:
Base-Base interactions energy: -50.908
where: short stacking energy: -48.090
Base-Backbone interact. energy: -0.180
local terms energy: -53.823514
where:
bonds (distance) C4'-P energy: -7.453
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -14.743
flat angles P-C4'-P energy: -10.739
tors. eta vs tors. theta energy: -5.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -102.096242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.096242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.096242 (E_RNA)
where:
Base-Base interactions energy: -46.507
where: short stacking energy: -46.507
Base-Backbone interact. energy: -0.081
local terms energy: -55.508043
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -8.545
flat angles C4'-P-C4' energy: -12.126
flat angles P-C4'-P energy: -12.357
tors. eta vs tors. theta energy: -6.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -95.425346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.425346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.425346 (E_RNA)
where:
Base-Base interactions energy: -53.985
where: short stacking energy: -27.254
Base-Backbone interact. energy: 0.685
local terms energy: -42.125056
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -9.060
flat angles C4'-P-C4' energy: -12.738
flat angles P-C4'-P energy: -4.713
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)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -93.107293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.107293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.107293 (E_RNA)
where:
Base-Base interactions energy: -38.209
where: short stacking energy: -26.943
Base-Backbone interact. energy: -0.263
local terms energy: -54.635639
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -11.759
flat angles P-C4'-P energy: -5.204
tors. eta vs tors. theta energy: -7.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -73.068322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.068322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.068322 (E_RNA)
where:
Base-Base interactions energy: -25.977
where: short stacking energy: -25.977
Base-Backbone interact. energy: -0.013
local terms energy: -47.078023
where:
bonds (distance) C4'-P energy: -8.174
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -11.977
flat angles P-C4'-P energy: -9.720
tors. eta vs tors. theta energy: -1.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -200.190564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.190564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.190564 (E_RNA)
where:
Base-Base interactions energy: -133.465
where: short stacking energy: -61.673
Base-Backbone interact. energy: -0.078
local terms energy: -66.647365
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -8.717
tors. eta vs tors. theta energy: -12.825
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: 2, replica: 8
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -195.375531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.375531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.375531 (E_RNA)
where:
Base-Base interactions energy: -125.547
where: short stacking energy: -56.777
Base-Backbone interact. energy: -0.110
local terms energy: -69.718798
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -16.083
flat angles P-C4'-P energy: -10.752
tors. eta vs tors. theta energy: -13.494
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: 4
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -185.399903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.399903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.399903 (E_RNA)
where:
Base-Base interactions energy: -121.044
where: short stacking energy: -48.699
Base-Backbone interact. energy: -0.433
local terms energy: -63.923092
where:
bonds (distance) C4'-P energy: -14.042
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -18.397
flat angles P-C4'-P energy: -8.085
tors. eta vs tors. theta energy: -8.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -161.357264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.357264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.357264 (E_RNA)
where:
Base-Base interactions energy: -95.556
where: short stacking energy: -53.863
Base-Backbone interact. energy: 0.312
local terms energy: -66.113993
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -15.947
flat angles P-C4'-P energy: -5.596
tors. eta vs tors. theta energy: -15.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -116.953576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.953576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.953576 (E_RNA)
where:
Base-Base interactions energy: -60.896
where: short stacking energy: -32.671
Base-Backbone interact. energy: -0.158
local terms energy: -55.899893
where:
bonds (distance) C4'-P energy: -9.822
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -14.722
flat angles P-C4'-P energy: -8.416
tors. eta vs tors. theta energy: -5.173
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: 6, replica: 9
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -84.802353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.802353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.802353 (E_RNA)
where:
Base-Base interactions energy: -27.212
where: short stacking energy: -24.614
Base-Backbone interact. energy: -1.709
local terms energy: -55.881319
where:
bonds (distance) C4'-P energy: -16.484
bonds (distance) P-C4' energy: -18.634
flat angles C4'-P-C4' energy: -13.814
flat angles P-C4'-P energy: -8.486
tors. eta vs tors. theta energy: 1.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -96.982396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.982396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.982396 (E_RNA)
where:
Base-Base interactions energy: -40.561
where: short stacking energy: -33.780
Base-Backbone interact. energy: 0.139
local terms energy: -56.560436
where:
bonds (distance) C4'-P energy: -14.534
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -8.970
flat angles P-C4'-P energy: -5.090
tors. eta vs tors. theta energy: -10.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -99.495894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.495894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.495894 (E_RNA)
where:
Base-Base interactions energy: -36.745
where: short stacking energy: -35.935
Base-Backbone interact. energy: -0.747
local terms energy: -62.004184
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -11.330
flat angles C4'-P-C4' energy: -13.394
flat angles P-C4'-P energy: -11.375
tors. eta vs tors. theta energy: -11.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -85.193619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.193619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.193619 (E_RNA)
where:
Base-Base interactions energy: -32.578
where: short stacking energy: -32.060
Base-Backbone interact. energy: -0.002
local terms energy: -52.613643
where:
bonds (distance) C4'-P energy: -12.131
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -12.676
flat angles P-C4'-P energy: -6.729
tors. eta vs tors. theta energy: -4.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -80.076238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.076238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.076238 (E_RNA)
where:
Base-Base interactions energy: -31.538
where: short stacking energy: -31.243
Base-Backbone interact. energy: -0.147
local terms energy: -48.391209
where:
bonds (distance) C4'-P energy: -12.549
bonds (distance) P-C4' energy: -16.247
flat angles C4'-P-C4' energy: -13.742
flat angles P-C4'-P energy: -5.622
tors. eta vs tors. theta energy: -0.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -189.687929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.687929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.687929 (E_RNA)
where:
Base-Base interactions energy: -124.296
where: short stacking energy: -57.478
Base-Backbone interact. energy: -0.047
local terms energy: -65.344067
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -10.967
flat angles P-C4'-P energy: -12.400
tors. eta vs tors. theta energy: -9.581
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: 8
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -205.834522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.834522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.834522 (E_RNA)
where:
Base-Base interactions energy: -141.016
where: short stacking energy: -60.373
Base-Backbone interact. energy: -0.331
local terms energy: -64.487606
where:
bonds (distance) C4'-P energy: -16.690
bonds (distance) P-C4' energy: -11.032
flat angles C4'-P-C4' energy: -10.475
flat angles P-C4'-P energy: -11.799
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: 3, replica: 4
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -195.479042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.479042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.479042 (E_RNA)
where:
Base-Base interactions energy: -138.958
where: short stacking energy: -56.132
Base-Backbone interact. energy: -0.397
local terms energy: -56.123810
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -15.306
flat angles C4'-P-C4' energy: -9.216
flat angles P-C4'-P energy: -5.458
tors. eta vs tors. theta energy: -9.830
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: 373
Temperature: 1.050000
Total energy: -142.147485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.147485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.147485 (E_RNA)
where:
Base-Base interactions energy: -71.273
where: short stacking energy: -47.970
Base-Backbone interact. energy: -0.352
local terms energy: -70.522607
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -16.031
flat angles P-C4'-P energy: -11.908
tors. eta vs tors. theta energy: -13.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -166.047076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.047076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.047076 (E_RNA)
where:
Base-Base interactions energy: -104.788
where: short stacking energy: -54.251
Base-Backbone interact. energy: -0.160
local terms energy: -61.099024
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -13.559
flat angles C4'-P-C4' energy: -12.161
flat angles P-C4'-P energy: -9.244
tors. eta vs tors. theta energy: -12.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -119.610385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.610385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.610385 (E_RNA)
where:
Base-Base interactions energy: -63.328
where: short stacking energy: -36.535
Base-Backbone interact. energy: -0.315
local terms energy: -55.967554
where:
bonds (distance) C4'-P energy: -13.177
bonds (distance) P-C4' energy: -16.094
flat angles C4'-P-C4' energy: -14.036
flat angles P-C4'-P energy: -9.218
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: 7, replica: 9
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -93.762131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.762131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.762131 (E_RNA)
where:
Base-Base interactions energy: -42.734
where: short stacking energy: -29.497
Base-Backbone interact. energy: -0.238
local terms energy: -50.790015
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -9.815
flat angles P-C4'-P energy: -12.655
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: 8, replica: 10
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -80.801859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.801859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.801859 (E_RNA)
where:
Base-Base interactions energy: -33.452
where: short stacking energy: -29.361
Base-Backbone interact. energy: -0.950
local terms energy: -46.400209
where:
bonds (distance) C4'-P energy: -10.642
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -11.263
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: -1.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -81.606766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.606766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.606766 (E_RNA)
where:
Base-Base interactions energy: -30.837
where: short stacking energy: -29.840
Base-Backbone interact. energy: -0.325
local terms energy: -50.445435
where:
bonds (distance) C4'-P energy: -14.884
bonds (distance) P-C4' energy: -12.928
flat angles C4'-P-C4' energy: -11.573
flat angles P-C4'-P energy: -9.500
tors. eta vs tors. theta energy: -1.560
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: 7
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -72.085088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.085088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.085088 (E_RNA)
where:
Base-Base interactions energy: -24.760
where: short stacking energy: -20.744
Base-Backbone interact. energy: -0.398
local terms energy: -46.927411
where:
bonds (distance) C4'-P energy: -13.475
bonds (distance) P-C4' energy: -14.266
flat angles C4'-P-C4' energy: -15.331
flat angles P-C4'-P energy: -1.892
tors. eta vs tors. theta energy: -1.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -211.108236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.108236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.108236 (E_RNA)
where:
Base-Base interactions energy: -141.020
where: short stacking energy: -60.957
Base-Backbone interact. energy: -0.115
local terms energy: -69.974050
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -11.140
tors. eta vs tors. theta energy: -14.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -206.711471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.711471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.711471 (E_RNA)
where:
Base-Base interactions energy: -137.491
where: short stacking energy: -62.354
Base-Backbone interact. energy: -0.734
local terms energy: -68.486754
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -9.858
flat angles C4'-P-C4' energy: -14.138
flat angles P-C4'-P energy: -12.092
tors. eta vs tors. theta energy: -16.689
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: 4
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -186.131328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.131328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.131328 (E_RNA)
where:
Base-Base interactions energy: -123.714
where: short stacking energy: -50.822
Base-Backbone interact. energy: -0.213
local terms energy: -62.204424
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -13.149
flat angles C4'-P-C4' energy: -16.594
flat angles P-C4'-P energy: -7.300
tors. eta vs tors. theta energy: -11.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -157.401407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.401407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.401407 (E_RNA)
where:
Base-Base interactions energy: -90.547
where: short stacking energy: -44.976
Base-Backbone interact. energy: 0.009
local terms energy: -66.862941
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -12.536
flat angles C4'-P-C4' energy: -12.783
flat angles P-C4'-P energy: -11.525
tors. eta vs tors. theta energy: -15.042
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: 5
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -160.570420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.570420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.570420 (E_RNA)
where:
Base-Base interactions energy: -85.589
where: short stacking energy: -47.097
Base-Backbone interact. energy: -0.003
local terms energy: -74.977870
where:
bonds (distance) C4'-P energy: -12.992
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -15.832
flat angles P-C4'-P energy: -9.256
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: 6, replica: 1
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -102.887310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.887310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.887310 (E_RNA)
where:
Base-Base interactions energy: -45.442
where: short stacking energy: -29.305
Base-Backbone interact. energy: -0.237
local terms energy: -57.208157
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -14.396
flat angles C4'-P-C4' energy: -14.114
flat angles P-C4'-P energy: -11.256
tors. eta vs tors. theta energy: -3.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -107.571856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.571856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.571856 (E_RNA)
where:
Base-Base interactions energy: -55.969
where: short stacking energy: -33.472
Base-Backbone interact. energy: -0.112
local terms energy: -51.490083
where:
bonds (distance) C4'-P energy: -9.524
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -12.841
flat angles P-C4'-P energy: -8.529
tors. eta vs tors. theta energy: -5.560
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: 8, replica: 10
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -88.413444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.413444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.413444 (E_RNA)
where:
Base-Base interactions energy: -33.151
where: short stacking energy: -32.588
Base-Backbone interact. energy: -0.173
local terms energy: -55.089590
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -13.502
flat angles P-C4'-P energy: -8.386
tors. eta vs tors. theta energy: -6.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -86.085035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.085035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.085035 (E_RNA)
where:
Base-Base interactions energy: -38.869
where: short stacking energy: -36.410
Base-Backbone interact. energy: -0.321
local terms energy: -46.894693
where:
bonds (distance) C4'-P energy: -11.183
bonds (distance) P-C4' energy: -18.088
flat angles C4'-P-C4' energy: -12.233
flat angles P-C4'-P energy: -6.385
tors. eta vs tors. theta energy: 0.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -80.046632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.046632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.046632 (E_RNA)
where:
Base-Base interactions energy: -27.554
where: short stacking energy: -25.415
Base-Backbone interact. energy: -0.084
local terms energy: -52.408460
where:
bonds (distance) C4'-P energy: -12.659
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -13.191
flat angles P-C4'-P energy: -6.200
tors. eta vs tors. theta energy: -3.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -206.501709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.501709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.501709 (E_RNA)
where:
Base-Base interactions energy: -141.879
where: short stacking energy: -52.492
Base-Backbone interact. energy: -0.347
local terms energy: -64.275989
where:
bonds (distance) C4'-P energy: -10.654
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -15.713
flat angles P-C4'-P energy: -12.160
tors. eta vs tors. theta energy: -11.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -204.811140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.811140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.811140 (E_RNA)
where:
Base-Base interactions energy: -136.263
where: short stacking energy: -67.914
Base-Backbone interact. energy: -0.953
local terms energy: -67.594697
where:
bonds (distance) C4'-P energy: -13.833
bonds (distance) P-C4' energy: -11.922
flat angles C4'-P-C4' energy: -14.017
flat angles P-C4'-P energy: -13.301
tors. eta vs tors. theta energy: -14.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -188.780359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.780359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.780359 (E_RNA)
where:
Base-Base interactions energy: -125.267
where: short stacking energy: -45.796
Base-Backbone interact. energy: -0.051
local terms energy: -63.461962
where:
bonds (distance) C4'-P energy: -15.209
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -7.852
tors. eta vs tors. theta energy: -10.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -160.868135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.868135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.868135 (E_RNA)
where:
Base-Base interactions energy: -95.844
where: short stacking energy: -54.377
Base-Backbone interact. energy: -0.021
local terms energy: -65.003615
where:
bonds (distance) C4'-P energy: -16.256
bonds (distance) P-C4' energy: -13.165
flat angles C4'-P-C4' energy: -13.810
flat angles P-C4'-P energy: -8.302
tors. eta vs tors. theta energy: -13.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -148.421204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.421204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.421204 (E_RNA)
where:
Base-Base interactions energy: -92.068
where: short stacking energy: -43.882
Base-Backbone interact. energy: -0.466
local terms energy: -55.886630
where:
bonds (distance) C4'-P energy: -11.856
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -10.473
flat angles P-C4'-P energy: -6.033
tors. eta vs tors. theta energy: -10.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -97.348225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.348225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.348225 (E_RNA)
where:
Base-Base interactions energy: -46.264
where: short stacking energy: -19.948
Base-Backbone interact. energy: -0.713
local terms energy: -50.370780
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -17.169
flat angles C4'-P-C4' energy: -12.749
flat angles P-C4'-P energy: -8.419
tors. eta vs tors. theta energy: 1.195
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: 7, replica: 9
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -91.937696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.937696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.937696 (E_RNA)
where:
Base-Base interactions energy: -47.563
where: short stacking energy: -42.860
Base-Backbone interact. energy: -0.108
local terms energy: -44.266379
where:
bonds (distance) C4'-P energy: -7.566
bonds (distance) P-C4' energy: -14.630
flat angles C4'-P-C4' energy: -10.946
flat angles P-C4'-P energy: -7.295
tors. eta vs tors. theta energy: -3.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -90.122152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.122152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.122152 (E_RNA)
where:
Base-Base interactions energy: -35.043
where: short stacking energy: -35.043
Base-Backbone interact. energy: -0.081
local terms energy: -54.997674
where:
bonds (distance) C4'-P energy: -8.814
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -11.725
flat angles P-C4'-P energy: -12.606
tors. eta vs tors. theta energy: -4.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -84.155829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.155829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.155829 (E_RNA)
where:
Base-Base interactions energy: -35.254
where: short stacking energy: -31.695
Base-Backbone interact. energy: -0.141
local terms energy: -48.761193
where:
bonds (distance) C4'-P energy: -11.851
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -12.016
flat angles P-C4'-P energy: -4.993
tors. eta vs tors. theta energy: -3.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -81.365222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.365222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.365222 (E_RNA)
where:
Base-Base interactions energy: -31.036
where: short stacking energy: -31.036
Base-Backbone interact. energy: -0.059
local terms energy: -50.270581
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -13.578
flat angles C4'-P-C4' energy: -10.694
flat angles P-C4'-P energy: -8.514
tors. eta vs tors. theta energy: -3.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -216.501682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.501682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.501682 (E_RNA)
where:
Base-Base interactions energy: -144.198
where: short stacking energy: -60.509
Base-Backbone interact. energy: 0.459
local terms energy: -72.763557
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -17.232
flat angles P-C4'-P energy: -12.818
tors. eta vs tors. theta energy: -12.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -205.252701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.252701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.252701 (E_RNA)
where:
Base-Base interactions energy: -138.588
where: short stacking energy: -60.073
Base-Backbone interact. energy: -0.256
local terms energy: -66.408215
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -15.234
flat angles P-C4'-P energy: -8.008
tors. eta vs tors. theta energy: -12.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -195.693055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.693055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.693055 (E_RNA)
where:
Base-Base interactions energy: -130.724
where: short stacking energy: -51.998
Base-Backbone interact. energy: -0.845
local terms energy: -64.123648
where:
bonds (distance) C4'-P energy: -15.480
bonds (distance) P-C4' energy: -17.011
flat angles C4'-P-C4' energy: -14.596
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -7.218
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: 376
Temperature: 1.050000
Total energy: -166.679301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.679301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.679301 (E_RNA)
where:
Base-Base interactions energy: -94.598
where: short stacking energy: -51.774
Base-Backbone interact. energy: 1.145
local terms energy: -73.226271
where:
bonds (distance) C4'-P energy: -15.778
bonds (distance) P-C4' energy: -15.912
flat angles C4'-P-C4' energy: -14.968
flat angles P-C4'-P energy: -10.654
tors. eta vs tors. theta energy: -15.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -163.513798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.513798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.513798 (E_RNA)
where:
Base-Base interactions energy: -99.469
where: short stacking energy: -54.750
Base-Backbone interact. energy: -0.008
local terms energy: -64.036267
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -12.802
flat angles C4'-P-C4' energy: -15.305
flat angles P-C4'-P energy: -7.063
tors. eta vs tors. theta energy: -14.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -116.178541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.178541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.178541 (E_RNA)
where:
Base-Base interactions energy: -66.306
where: short stacking energy: -37.323
Base-Backbone interact. energy: -0.216
local terms energy: -49.656841
where:
bonds (distance) C4'-P energy: -11.802
bonds (distance) P-C4' energy: -12.855
flat angles C4'-P-C4' energy: -14.690
flat angles P-C4'-P energy: -5.413
tors. eta vs tors. theta energy: -4.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -102.669624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.669624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.669624 (E_RNA)
where:
Base-Base interactions energy: -45.948
where: short stacking energy: -27.735
Base-Backbone interact. energy: 0.571
local terms energy: -57.292468
where:
bonds (distance) C4'-P energy: -16.875
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -10.777
flat angles P-C4'-P energy: -7.451
tors. eta vs tors. theta energy: -6.720
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: 8, replica: 9
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -81.670386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.670386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.670386 (E_RNA)
where:
Base-Base interactions energy: -32.217
where: short stacking energy: -16.554
Base-Backbone interact. energy: -0.204
local terms energy: -49.250238
where:
bonds (distance) C4'-P energy: -11.682
bonds (distance) P-C4' energy: -12.709
flat angles C4'-P-C4' energy: -12.111
flat angles P-C4'-P energy: -10.311
tors. eta vs tors. theta energy: -2.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -80.825790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.825790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.825790 (E_RNA)
where:
Base-Base interactions energy: -27.608
where: short stacking energy: -27.608
Base-Backbone interact. energy: -0.173
local terms energy: -53.045061
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -13.173
flat angles C4'-P-C4' energy: -12.254
flat angles P-C4'-P energy: -5.774
tors. eta vs tors. theta energy: -9.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -90.852274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.852274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.852274 (E_RNA)
where:
Base-Base interactions energy: -42.062
where: short stacking energy: -38.178
Base-Backbone interact. energy: -0.005
local terms energy: -48.784863
where:
bonds (distance) C4'-P energy: -10.683
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -9.036
flat angles P-C4'-P energy: -5.528
tors. eta vs tors. theta energy: -8.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -215.650689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.650689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.650689 (E_RNA)
where:
Base-Base interactions energy: -137.761
where: short stacking energy: -66.769
Base-Backbone interact. energy: -0.008
local terms energy: -77.881808
where:
bonds (distance) C4'-P energy: -14.594
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -17.711
flat angles P-C4'-P energy: -13.066
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: 2, replica: 4
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -196.806763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.806763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.806763 (E_RNA)
where:
Base-Base interactions energy: -127.630
where: short stacking energy: -44.280
Base-Backbone interact. energy: -0.180
local terms energy: -68.996499
where:
bonds (distance) C4'-P energy: -15.440
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -15.713
flat angles P-C4'-P energy: -11.407
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: 3, replica: 8
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -192.377634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.377634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.377634 (E_RNA)
where:
Base-Base interactions energy: -123.951
where: short stacking energy: -54.496
Base-Backbone interact. energy: -0.693
local terms energy: -67.733708
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -16.177
flat angles P-C4'-P energy: -11.188
tors. eta vs tors. theta energy: -9.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -168.743641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.743641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.743641 (E_RNA)
where:
Base-Base interactions energy: -106.150
where: short stacking energy: -59.309
Base-Backbone interact. energy: -0.068
local terms energy: -62.525808
where:
bonds (distance) C4'-P energy: -12.482
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -12.588
flat angles P-C4'-P energy: -9.763
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: 5
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -161.574755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.574755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.574755 (E_RNA)
where:
Base-Base interactions energy: -91.595
where: short stacking energy: -51.556
Base-Backbone interact. energy: -0.137
local terms energy: -69.843261
where:
bonds (distance) C4'-P energy: -13.981
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -16.125
flat angles P-C4'-P energy: -11.621
tors. eta vs tors. theta energy: -11.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -107.611732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.611732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.611732 (E_RNA)
where:
Base-Base interactions energy: -46.580
where: short stacking energy: -46.580
Base-Backbone interact. energy: -0.613
local terms energy: -60.418727
where:
bonds (distance) C4'-P energy: -11.570
bonds (distance) P-C4' energy: -16.320
flat angles C4'-P-C4' energy: -13.519
flat angles P-C4'-P energy: -8.137
tors. eta vs tors. theta energy: -10.873
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: 7
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -119.247108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.247108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.247108 (E_RNA)
where:
Base-Base interactions energy: -66.258
where: short stacking energy: -38.735
Base-Backbone interact. energy: -0.126
local terms energy: -52.863447
where:
bonds (distance) C4'-P energy: -17.701
bonds (distance) P-C4' energy: -13.325
flat angles C4'-P-C4' energy: -12.768
flat angles P-C4'-P energy: -5.095
tors. eta vs tors. theta energy: -3.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -96.701909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.701909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.701909 (E_RNA)
where:
Base-Base interactions energy: -43.120
where: short stacking energy: -29.668
Base-Backbone interact. energy: 0.740
local terms energy: -54.322322
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -15.463
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -10.870
tors. eta vs tors. theta energy: 0.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -88.613494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.613494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.613494 (E_RNA)
where:
Base-Base interactions energy: -36.543
where: short stacking energy: -26.724
Base-Backbone interact. energy: -0.763
local terms energy: -51.307154
where:
bonds (distance) C4'-P energy: -14.961
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -11.927
flat angles P-C4'-P energy: -4.503
tors. eta vs tors. theta energy: -5.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -69.136824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.136824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.136824 (E_RNA)
where:
Base-Base interactions energy: -20.996
where: short stacking energy: -16.810
Base-Backbone interact. energy: -0.098
local terms energy: -48.043288
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -9.937
flat angles P-C4'-P energy: -5.422
tors. eta vs tors. theta energy: -2.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -211.391676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.391676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.391676 (E_RNA)
where:
Base-Base interactions energy: -137.321
where: short stacking energy: -71.879
Base-Backbone interact. energy: -0.051
local terms energy: -74.019761
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -17.774
flat angles P-C4'-P energy: -7.017
tors. eta vs tors. theta energy: -17.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -190.285860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.285860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.285860 (E_RNA)
where:
Base-Base interactions energy: -126.912
where: short stacking energy: -60.533
Base-Backbone interact. energy: -0.318
local terms energy: -63.055889
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -10.303
flat angles P-C4'-P energy: -9.640
tors. eta vs tors. theta energy: -14.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -207.315334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.315334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.315334 (E_RNA)
where:
Base-Base interactions energy: -132.318
where: short stacking energy: -63.323
Base-Backbone interact. energy: -0.103
local terms energy: -74.894872
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -16.251
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -9.684
tors. eta vs tors. theta energy: -18.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -175.135676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.135676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.135676 (E_RNA)
where:
Base-Base interactions energy: -107.386
where: short stacking energy: -51.493
Base-Backbone interact. energy: -0.866
local terms energy: -66.883917
where:
bonds (distance) C4'-P energy: -11.785
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -14.314
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -17.368
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: 1
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -108.498230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.498230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.498230 (E_RNA)
where:
Base-Base interactions energy: -64.181
where: short stacking energy: -36.384
Base-Backbone interact. energy: -1.004
local terms energy: -43.313553
where:
bonds (distance) C4'-P energy: -11.288
bonds (distance) P-C4' energy: -10.766
flat angles C4'-P-C4' energy: -6.585
flat angles P-C4'-P energy: -11.109
tors. eta vs tors. theta energy: -3.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -155.151317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.151317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.151317 (E_RNA)
where:
Base-Base interactions energy: -86.888
where: short stacking energy: -46.837
Base-Backbone interact. energy: -0.632
local terms energy: -67.631307
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -15.289
flat angles P-C4'-P energy: -10.517
tors. eta vs tors. theta energy: -10.903
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: 6
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -102.970344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.970344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.970344 (E_RNA)
where:
Base-Base interactions energy: -46.023
where: short stacking energy: -38.762
Base-Backbone interact. energy: -0.401
local terms energy: -56.545989
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -16.009
flat angles C4'-P-C4' energy: -9.273
flat angles P-C4'-P energy: -7.604
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: 7
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -89.542797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.542797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.542797 (E_RNA)
where:
Base-Base interactions energy: -42.903
where: short stacking energy: -27.086
Base-Backbone interact. energy: -0.184
local terms energy: -46.455458
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -11.168
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -6.556
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: 9, replica: 10
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -82.079661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.079661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.079661 (E_RNA)
where:
Base-Base interactions energy: -29.353
where: short stacking energy: -29.353
Base-Backbone interact. energy: 2.185
local terms energy: -54.911782
where:
bonds (distance) C4'-P energy: -13.532
bonds (distance) P-C4' energy: -14.587
flat angles C4'-P-C4' energy: -8.504
flat angles P-C4'-P energy: -10.665
tors. eta vs tors. theta energy: -7.624
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: 10, replica: 9
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -78.988184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.988184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.988184 (E_RNA)
where:
Base-Base interactions energy: -38.755
where: short stacking energy: -35.286
Base-Backbone interact. energy: 0.978
local terms energy: -41.210742
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -7.666
flat angles P-C4'-P energy: 3.251
tors. eta vs tors. theta energy: -4.617
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: 1, replica: 2
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -212.903883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.903883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.903883 (E_RNA)
where:
Base-Base interactions energy: -136.671
where: short stacking energy: -68.790
Base-Backbone interact. energy: 0.014
local terms energy: -76.247076
where:
bonds (distance) C4'-P energy: -15.276
bonds (distance) P-C4' energy: -14.188
flat angles C4'-P-C4' energy: -15.117
flat angles P-C4'-P energy: -15.022
tors. eta vs tors. theta energy: -16.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -194.586692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.586692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.586692 (E_RNA)
where:
Base-Base interactions energy: -126.908
where: short stacking energy: -70.941
Base-Backbone interact. energy: -0.016
local terms energy: -67.662867
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -15.750
flat angles P-C4'-P energy: -9.741
tors. eta vs tors. theta energy: -14.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -189.270693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.270693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.270693 (E_RNA)
where:
Base-Base interactions energy: -128.352
where: short stacking energy: -50.203
Base-Backbone interact. energy: -0.763
local terms energy: -60.155800
where:
bonds (distance) C4'-P energy: -12.272
bonds (distance) P-C4' energy: -13.158
flat angles C4'-P-C4' energy: -14.714
flat angles P-C4'-P energy: -9.549
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: 4, replica: 3
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -176.571274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.571274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.571274 (E_RNA)
where:
Base-Base interactions energy: -103.503
where: short stacking energy: -57.665
Base-Backbone interact. energy: -0.142
local terms energy: -72.926845
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -18.892
flat angles P-C4'-P energy: -9.934
tors. eta vs tors. theta energy: -14.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -106.111340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.111340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.111340 (E_RNA)
where:
Base-Base interactions energy: -45.099
where: short stacking energy: -40.174
Base-Backbone interact. energy: -0.095
local terms energy: -60.916973
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -15.615
flat angles P-C4'-P energy: -11.328
tors. eta vs tors. theta energy: -5.667
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: 5
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -149.103111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.103111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.103111 (E_RNA)
where:
Base-Base interactions energy: -92.825
where: short stacking energy: -50.520
Base-Backbone interact. energy: -0.144
local terms energy: -56.133829
where:
bonds (distance) C4'-P energy: -15.487
bonds (distance) P-C4' energy: -11.471
flat angles C4'-P-C4' energy: -9.682
flat angles P-C4'-P energy: -8.886
tors. eta vs tors. theta energy: -10.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -95.925691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.925691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.925691 (E_RNA)
where:
Base-Base interactions energy: -42.825
where: short stacking energy: -42.825
Base-Backbone interact. energy: -0.104
local terms energy: -52.996896
where:
bonds (distance) C4'-P energy: -11.270
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -3.929
tors. eta vs tors. theta energy: -7.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -110.870930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.870930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.870930 (E_RNA)
where:
Base-Base interactions energy: -45.550
where: short stacking energy: -43.106
Base-Backbone interact. energy: -0.098
local terms energy: -65.222268
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -11.895
flat angles C4'-P-C4' energy: -15.170
flat angles P-C4'-P energy: -12.480
tors. eta vs tors. theta energy: -11.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -82.369804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.369804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.369804 (E_RNA)
where:
Base-Base interactions energy: -30.812
where: short stacking energy: -29.550
Base-Backbone interact. energy: -0.195
local terms energy: -51.363421
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -15.666
flat angles P-C4'-P energy: -4.338
tors. eta vs tors. theta energy: -4.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -81.879280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.879280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.879280 (E_RNA)
where:
Base-Base interactions energy: -35.370
where: short stacking energy: -34.787
Base-Backbone interact. energy: -0.116
local terms energy: -46.393239
where:
bonds (distance) C4'-P energy: -12.831
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -3.544
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: -5.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -203.137100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.137100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.137100 (E_RNA)
where:
Base-Base interactions energy: -128.245
where: short stacking energy: -56.096
Base-Backbone interact. energy: -0.002
local terms energy: -74.890134
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -16.750
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -20.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -184.709762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.709762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.709762 (E_RNA)
where:
Base-Base interactions energy: -116.023
where: short stacking energy: -53.209
Base-Backbone interact. energy: -0.105
local terms energy: -68.581037
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -16.619
flat angles C4'-P-C4' energy: -16.622
flat angles P-C4'-P energy: -8.549
tors. eta vs tors. theta energy: -13.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -191.040859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.040859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.040859 (E_RNA)
where:
Base-Base interactions energy: -129.980
where: short stacking energy: -48.580
Base-Backbone interact. energy: -0.103
local terms energy: -60.957721
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -10.441
flat angles C4'-P-C4' energy: -15.541
flat angles P-C4'-P energy: -6.711
tors. eta vs tors. theta energy: -11.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -207.776382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.776382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.776382 (E_RNA)
where:
Base-Base interactions energy: -135.668
where: short stacking energy: -50.696
Base-Backbone interact. energy: -0.287
local terms energy: -71.822236
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -16.314
flat angles P-C4'-P energy: -13.350
tors. eta vs tors. theta energy: -11.927
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: 5, replica: 5
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -153.131476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.131476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.131476 (E_RNA)
where:
Base-Base interactions energy: -92.368
where: short stacking energy: -59.617
Base-Backbone interact. energy: -0.033
local terms energy: -60.730766
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -10.805
flat angles P-C4'-P energy: -8.946
tors. eta vs tors. theta energy: -14.076
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: 380
Temperature: 1.150000
Total energy: -98.973029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.973029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.973029 (E_RNA)
where:
Base-Base interactions energy: -43.501
where: short stacking energy: -30.087
Base-Backbone interact. energy: -0.101
local terms energy: -55.371238
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -11.127
flat angles P-C4'-P energy: -10.459
tors. eta vs tors. theta energy: -4.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -104.993304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.993304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.993304 (E_RNA)
where:
Base-Base interactions energy: -41.272
where: short stacking energy: -41.272
Base-Backbone interact. energy: 0.644
local terms energy: -64.365853
where:
bonds (distance) C4'-P energy: -13.818
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -15.889
flat angles P-C4'-P energy: -11.730
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: 8, replica: 10
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -90.956944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.956944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.956944 (E_RNA)
where:
Base-Base interactions energy: -38.297
where: short stacking energy: -29.722
Base-Backbone interact. energy: -0.042
local terms energy: -52.617709
where:
bonds (distance) C4'-P energy: -7.744
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -11.774
flat angles P-C4'-P energy: -9.707
tors. eta vs tors. theta energy: -8.149
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: 9
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -99.937777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.937777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.937777 (E_RNA)
where:
Base-Base interactions energy: -44.136
where: short stacking energy: -30.278
Base-Backbone interact. energy: -0.538
local terms energy: -55.263751
where:
bonds (distance) C4'-P energy: -13.758
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -12.977
flat angles P-C4'-P energy: -9.056
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: 10, replica: 7
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -78.558073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.558073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.558073 (E_RNA)
where:
Base-Base interactions energy: -33.238
where: short stacking energy: -29.046
Base-Backbone interact. energy: -0.235
local terms energy: -45.084113
where:
bonds (distance) C4'-P energy: -9.815
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -9.849
flat angles P-C4'-P energy: -4.615
tors. eta vs tors. theta energy: -4.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -205.861017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.861017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.861017 (E_RNA)
where:
Base-Base interactions energy: -131.135
where: short stacking energy: -70.704
Base-Backbone interact. energy: -0.306
local terms energy: -74.420114
where:
bonds (distance) C4'-P energy: -16.170
bonds (distance) P-C4' energy: -16.585
flat angles C4'-P-C4' energy: -13.559
flat angles P-C4'-P energy: -8.766
tors. eta vs tors. theta energy: -19.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -191.549464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.549464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.549464 (E_RNA)
where:
Base-Base interactions energy: -126.375
where: short stacking energy: -59.507
Base-Backbone interact. energy: -0.003
local terms energy: -65.171516
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -16.535
flat angles C4'-P-C4' energy: -14.478
flat angles P-C4'-P energy: -12.165
tors. eta vs tors. theta energy: -9.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -200.474822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.474822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.474822 (E_RNA)
where:
Base-Base interactions energy: -121.168
where: short stacking energy: -70.224
Base-Backbone interact. energy: -0.003
local terms energy: -79.304601
where:
bonds (distance) C4'-P energy: -17.986
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -17.498
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -16.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -198.863506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.863506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.863506 (E_RNA)
where:
Base-Base interactions energy: -130.782
where: short stacking energy: -55.590
Base-Backbone interact. energy: -0.112
local terms energy: -67.969470
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -13.927
flat angles C4'-P-C4' energy: -12.438
flat angles P-C4'-P energy: -8.999
tors. eta vs tors. theta energy: -17.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -152.731113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.731113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.731113 (E_RNA)
where:
Base-Base interactions energy: -88.144
where: short stacking energy: -59.588
Base-Backbone interact. energy: -0.013
local terms energy: -64.574183
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -10.328
flat angles P-C4'-P energy: -8.295
tors. eta vs tors. theta energy: -18.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -101.749049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.749049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.749049 (E_RNA)
where:
Base-Base interactions energy: -55.937
where: short stacking energy: -39.729
Base-Backbone interact. energy: -0.178
local terms energy: -45.633850
where:
bonds (distance) C4'-P energy: -13.617
bonds (distance) P-C4' energy: -9.784
flat angles C4'-P-C4' energy: -14.330
flat angles P-C4'-P energy: -0.693
tors. eta vs tors. theta energy: -7.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -90.288365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.288365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.288365 (E_RNA)
where:
Base-Base interactions energy: -34.200
where: short stacking energy: -34.200
Base-Backbone interact. energy: -0.228
local terms energy: -55.860326
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -8.530
tors. eta vs tors. theta energy: -3.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -73.453010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.453010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.453010 (E_RNA)
where:
Base-Base interactions energy: -31.242
where: short stacking energy: -19.756
Base-Backbone interact. energy: 0.588
local terms energy: -42.799529
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -10.749
flat angles C4'-P-C4' energy: -12.579
flat angles P-C4'-P energy: -7.008
tors. eta vs tors. theta energy: 0.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -76.593281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.593281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.593281 (E_RNA)
where:
Base-Base interactions energy: -27.456
where: short stacking energy: -24.818
Base-Backbone interact. energy: -0.085
local terms energy: -49.052582
where:
bonds (distance) C4'-P energy: -10.042
bonds (distance) P-C4' energy: -11.017
flat angles C4'-P-C4' energy: -12.669
flat angles P-C4'-P energy: -8.890
tors. eta vs tors. theta energy: -6.435
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: 7
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -76.346601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.346601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.346601 (E_RNA)
where:
Base-Base interactions energy: -36.369
where: short stacking energy: -29.171
Base-Backbone interact. energy: -0.103
local terms energy: -39.874555
where:
bonds (distance) C4'-P energy: -5.397
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -8.802
flat angles P-C4'-P energy: -7.583
tors. eta vs tors. theta energy: -1.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -201.867233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.867233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.867233 (E_RNA)
where:
Base-Base interactions energy: -120.694
where: short stacking energy: -68.938
Base-Backbone interact. energy: -0.287
local terms energy: -80.885619
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -18.396
flat angles C4'-P-C4' energy: -14.653
flat angles P-C4'-P energy: -10.704
tors. eta vs tors. theta energy: -21.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -186.281928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.281928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.281928 (E_RNA)
where:
Base-Base interactions energy: -126.055
where: short stacking energy: -59.373
Base-Backbone interact. energy: -0.024
local terms energy: -60.203197
where:
bonds (distance) C4'-P energy: -11.503
bonds (distance) P-C4' energy: -13.908
flat angles C4'-P-C4' energy: -15.634
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: -9.954
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: 3
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -204.646913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.646913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.646913 (E_RNA)
where:
Base-Base interactions energy: -137.227
where: short stacking energy: -59.814
Base-Backbone interact. energy: -0.343
local terms energy: -67.077355
where:
bonds (distance) C4'-P energy: -9.581
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -14.113
flat angles P-C4'-P energy: -9.449
tors. eta vs tors. theta energy: -15.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -163.581723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.581723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.581723 (E_RNA)
where:
Base-Base interactions energy: -92.465
where: short stacking energy: -49.227
Base-Backbone interact. energy: -0.131
local terms energy: -70.986499
where:
bonds (distance) C4'-P energy: -16.089
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -13.892
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: -17.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -143.653438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.653438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.653438 (E_RNA)
where:
Base-Base interactions energy: -80.507
where: short stacking energy: -39.286
Base-Backbone interact. energy: -0.038
local terms energy: -63.108709
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -9.988
flat angles P-C4'-P energy: -10.231
tors. eta vs tors. theta energy: -10.144
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: 6
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -107.490700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.490700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.490700 (E_RNA)
where:
Base-Base interactions energy: -48.169
where: short stacking energy: -33.371
Base-Backbone interact. energy: -0.201
local terms energy: -59.121161
where:
bonds (distance) C4'-P energy: -11.212
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -11.519
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -8.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -89.699706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.699706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.699706 (E_RNA)
where:
Base-Base interactions energy: -33.482
where: short stacking energy: -27.978
Base-Backbone interact. energy: 0.295
local terms energy: -56.513401
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -15.165
flat angles P-C4'-P energy: -8.753
tors. eta vs tors. theta energy: -2.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -79.498913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.498913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.498913 (E_RNA)
where:
Base-Base interactions energy: -35.614
where: short stacking energy: -35.289
Base-Backbone interact. energy: 2.163
local terms energy: -46.048130
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -10.627
flat angles C4'-P-C4' energy: -13.455
flat angles P-C4'-P energy: -7.347
tors. eta vs tors. theta energy: -1.820
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: 7
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -92.756739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.756739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.756739 (E_RNA)
where:
Base-Base interactions energy: -36.579
where: short stacking energy: -36.579
Base-Backbone interact. energy: -0.301
local terms energy: -55.877359
where:
bonds (distance) C4'-P energy: -10.783
bonds (distance) P-C4' energy: -13.055
flat angles C4'-P-C4' energy: -14.280
flat angles P-C4'-P energy: -10.401
tors. eta vs tors. theta energy: -7.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -75.191322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.191322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.191322 (E_RNA)
where:
Base-Base interactions energy: -25.310
where: short stacking energy: -25.310
Base-Backbone interact. energy: -0.254
local terms energy: -49.626913
where:
bonds (distance) C4'-P energy: -11.150
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -11.582
flat angles P-C4'-P energy: -10.104
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: 2
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -204.894073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.894073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.894073 (E_RNA)
where:
Base-Base interactions energy: -124.723
where: short stacking energy: -73.791
Base-Backbone interact. energy: -0.887
local terms energy: -79.283862
where:
bonds (distance) C4'-P energy: -15.922
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -15.977
flat angles P-C4'-P energy: -11.009
tors. eta vs tors. theta energy: -19.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -216.884514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.884514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.884514 (E_RNA)
where:
Base-Base interactions energy: -142.752
where: short stacking energy: -59.866
Base-Backbone interact. energy: -1.266
local terms energy: -72.866242
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: -15.758
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: 4
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -186.776651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.776651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.776651 (E_RNA)
where:
Base-Base interactions energy: -123.577
where: short stacking energy: -53.190
Base-Backbone interact. energy: -0.190
local terms energy: -63.009578
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -14.157
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -10.007
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: 8
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -184.479442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.479442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.479442 (E_RNA)
where:
Base-Base interactions energy: -113.032
where: short stacking energy: -65.129
Base-Backbone interact. energy: -0.038
local terms energy: -71.409774
where:
bonds (distance) C4'-P energy: -17.116
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -12.832
flat angles P-C4'-P energy: -8.443
tors. eta vs tors. theta energy: -17.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -155.070936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.070936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.070936 (E_RNA)
where:
Base-Base interactions energy: -94.301
where: short stacking energy: -55.591
Base-Backbone interact. energy: -0.014
local terms energy: -60.755764
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -13.379
flat angles C4'-P-C4' energy: -9.568
flat angles P-C4'-P energy: -8.710
tors. eta vs tors. theta energy: -14.709
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: 9
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -104.158292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.158292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.158292 (E_RNA)
where:
Base-Base interactions energy: -45.757
where: short stacking energy: -33.398
Base-Backbone interact. energy: -0.269
local terms energy: -58.132388
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -11.660
flat angles P-C4'-P energy: -8.088
tors. eta vs tors. theta energy: -7.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -98.880869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.880869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.880869 (E_RNA)
where:
Base-Base interactions energy: -40.566
where: short stacking energy: -28.762
Base-Backbone interact. energy: -0.203
local terms energy: -58.111592
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -12.947
flat angles C4'-P-C4' energy: -16.275
flat angles P-C4'-P energy: -9.749
tors. eta vs tors. theta energy: -4.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -99.309524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.309524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.309524 (E_RNA)
where:
Base-Base interactions energy: -38.807
where: short stacking energy: -38.070
Base-Backbone interact. energy: -0.141
local terms energy: -60.361495
where:
bonds (distance) C4'-P energy: -12.166
bonds (distance) P-C4' energy: -19.159
flat angles C4'-P-C4' energy: -14.576
flat angles P-C4'-P energy: -10.562
tors. eta vs tors. theta energy: -3.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -90.825645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.825645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.825645 (E_RNA)
where:
Base-Base interactions energy: -40.278
where: short stacking energy: -39.097
Base-Backbone interact. energy: -0.020
local terms energy: -50.527647
where:
bonds (distance) C4'-P energy: -9.114
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -10.803
flat angles P-C4'-P energy: -9.127
tors. eta vs tors. theta energy: -7.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -78.849592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.849592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.849592 (E_RNA)
where:
Base-Base interactions energy: -33.863
where: short stacking energy: -21.908
Base-Backbone interact. energy: 0.155
local terms energy: -45.141898
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -10.159
flat angles C4'-P-C4' energy: -11.044
flat angles P-C4'-P energy: -12.676
tors. eta vs tors. theta energy: 2.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -210.395903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.395903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.395903 (E_RNA)
where:
Base-Base interactions energy: -133.506
where: short stacking energy: -63.658
Base-Backbone interact. energy: -0.065
local terms energy: -76.824884
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -11.867
flat angles C4'-P-C4' energy: -17.413
flat angles P-C4'-P energy: -12.396
tors. eta vs tors. theta energy: -20.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -196.327842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.327842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.327842 (E_RNA)
where:
Base-Base interactions energy: -121.718
where: short stacking energy: -64.937
Base-Backbone interact. energy: -0.899
local terms energy: -73.710693
where:
bonds (distance) C4'-P energy: -12.574
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -13.945
flat angles P-C4'-P energy: -11.057
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: 3, replica: 4
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -186.596971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.596971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.596971 (E_RNA)
where:
Base-Base interactions energy: -124.034
where: short stacking energy: -51.118
Base-Backbone interact. energy: -0.482
local terms energy: -62.081238
where:
bonds (distance) C4'-P energy: -10.158
bonds (distance) P-C4' energy: -13.104
flat angles C4'-P-C4' energy: -18.885
flat angles P-C4'-P energy: -9.985
tors. eta vs tors. theta energy: -9.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -173.603218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.603218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.603218 (E_RNA)
where:
Base-Base interactions energy: -100.864
where: short stacking energy: -57.349
Base-Backbone interact. energy: -0.740
local terms energy: -71.999395
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -15.045
flat angles P-C4'-P energy: -11.923
tors. eta vs tors. theta energy: -15.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -98.599107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.599107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.599107 (E_RNA)
where:
Base-Base interactions energy: -39.304
where: short stacking energy: -39.304
Base-Backbone interact. energy: -0.030
local terms energy: -59.264564
where:
bonds (distance) C4'-P energy: -10.236
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -13.292
flat angles P-C4'-P energy: -11.252
tors. eta vs tors. theta energy: -8.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -152.027015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.027015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.027015 (E_RNA)
where:
Base-Base interactions energy: -92.389
where: short stacking energy: -52.740
Base-Backbone interact. energy: -0.398
local terms energy: -59.240265
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -9.796
flat angles C4'-P-C4' energy: -16.179
flat angles P-C4'-P energy: -4.725
tors. eta vs tors. theta energy: -14.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -102.850185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.850185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.850185 (E_RNA)
where:
Base-Base interactions energy: -60.132
where: short stacking energy: -36.752
Base-Backbone interact. energy: -0.217
local terms energy: -42.501072
where:
bonds (distance) C4'-P energy: -7.878
bonds (distance) P-C4' energy: -12.934
flat angles C4'-P-C4' energy: -8.539
flat angles P-C4'-P energy: -9.194
tors. eta vs tors. theta energy: -3.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -85.879685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.879685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.879685 (E_RNA)
where:
Base-Base interactions energy: -40.195
where: short stacking energy: -40.195
Base-Backbone interact. energy: 1.501
local terms energy: -47.185469
where:
bonds (distance) C4'-P energy: -13.178
bonds (distance) P-C4' energy: -12.566
flat angles C4'-P-C4' energy: -10.613
flat angles P-C4'-P energy: -7.339
tors. eta vs tors. theta energy: -3.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -80.204120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.204120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.204120 (E_RNA)
where:
Base-Base interactions energy: -45.888
where: short stacking energy: -30.445
Base-Backbone interact. energy: 2.878
local terms energy: -37.194641
where:
bonds (distance) C4'-P energy: -8.758
bonds (distance) P-C4' energy: -9.146
flat angles C4'-P-C4' energy: -13.863
flat angles P-C4'-P energy: -1.928
tors. eta vs tors. theta energy: -3.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -79.004302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.004302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.004302 (E_RNA)
where:
Base-Base interactions energy: -29.900
where: short stacking energy: -26.141
Base-Backbone interact. energy: -0.114
local terms energy: -48.990590
where:
bonds (distance) C4'-P energy: -12.530
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -11.636
flat angles P-C4'-P energy: -6.432
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)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -223.916438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.916438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.916438 (E_RNA)
where:
Base-Base interactions energy: -145.202
where: short stacking energy: -69.183
Base-Backbone interact. energy: -0.004
local terms energy: -78.710646
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -16.925
flat angles P-C4'-P energy: -11.976
tors. eta vs tors. theta energy: -19.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -204.303597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.303597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.303597 (E_RNA)
where:
Base-Base interactions energy: -132.752
where: short stacking energy: -58.416
Base-Backbone interact. energy: -0.010
local terms energy: -71.542311
where:
bonds (distance) C4'-P energy: -14.607
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -16.669
flat angles P-C4'-P energy: -11.580
tors. eta vs tors. theta energy: -13.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -186.698389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.698389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.698389 (E_RNA)
where:
Base-Base interactions energy: -132.899
where: short stacking energy: -47.376
Base-Backbone interact. energy: -0.528
local terms energy: -53.271297
where:
bonds (distance) C4'-P energy: -11.779
bonds (distance) P-C4' energy: -17.109
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -7.525
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: 4, replica: 8
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -186.900300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.900300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.900300 (E_RNA)
where:
Base-Base interactions energy: -123.755
where: short stacking energy: -56.310
Base-Backbone interact. energy: -1.197
local terms energy: -61.948109
where:
bonds (distance) C4'-P energy: -11.409
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -14.192
flat angles P-C4'-P energy: -7.845
tors. eta vs tors. theta energy: -14.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -95.684706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.684706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.684706 (E_RNA)
where:
Base-Base interactions energy: -37.972
where: short stacking energy: -37.972
Base-Backbone interact. energy: -1.051
local terms energy: -56.661766
where:
bonds (distance) C4'-P energy: -13.652
bonds (distance) P-C4' energy: -15.246
flat angles C4'-P-C4' energy: -14.254
flat angles P-C4'-P energy: -10.936
tors. eta vs tors. theta energy: -2.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -146.522439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.522439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.522439 (E_RNA)
where:
Base-Base interactions energy: -84.386
where: short stacking energy: -46.710
Base-Backbone interact. energy: -0.461
local terms energy: -61.676198
where:
bonds (distance) C4'-P energy: -9.806
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -14.484
flat angles P-C4'-P energy: -8.383
tors. eta vs tors. theta energy: -11.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -104.171722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.171722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.171722 (E_RNA)
where:
Base-Base interactions energy: -59.315
where: short stacking energy: -46.242
Base-Backbone interact. energy: -0.157
local terms energy: -44.700211
where:
bonds (distance) C4'-P energy: -7.239
bonds (distance) P-C4' energy: -10.427
flat angles C4'-P-C4' energy: -6.170
flat angles P-C4'-P energy: -10.130
tors. eta vs tors. theta energy: -10.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -100.393064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.393064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.393064 (E_RNA)
where:
Base-Base interactions energy: -60.347
where: short stacking energy: -46.309
Base-Backbone interact. energy: -0.031
local terms energy: -40.014909
where:
bonds (distance) C4'-P energy: -8.762
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -5.308
flat angles P-C4'-P energy: -2.548
tors. eta vs tors. theta energy: -9.516
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: 7
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -93.255720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.255720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.255720 (E_RNA)
where:
Base-Base interactions energy: -44.018
where: short stacking energy: -35.498
Base-Backbone interact. energy: -0.211
local terms energy: -49.026583
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -12.665
flat angles C4'-P-C4' energy: -14.423
flat angles P-C4'-P energy: -5.059
tors. eta vs tors. theta energy: -4.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -74.830995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.830995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.830995 (E_RNA)
where:
Base-Base interactions energy: -29.613
where: short stacking energy: -22.147
Base-Backbone interact. energy: -0.140
local terms energy: -45.078502
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -13.017
flat angles C4'-P-C4' energy: -10.457
flat angles P-C4'-P energy: -8.874
tors. eta vs tors. theta energy: 3.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -202.281451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.281451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.281451 (E_RNA)
where:
Base-Base interactions energy: -133.031
where: short stacking energy: -55.878
Base-Backbone interact. energy: -0.847
local terms energy: -68.404164
where:
bonds (distance) C4'-P energy: -13.060
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -13.184
tors. eta vs tors. theta energy: -11.593
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: 2, replica: 3
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -213.778598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.778598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.778598 (E_RNA)
where:
Base-Base interactions energy: -136.029
where: short stacking energy: -64.861
Base-Backbone interact. energy: -0.001
local terms energy: -77.748658
where:
bonds (distance) C4'-P energy: -13.604
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -17.377
flat angles P-C4'-P energy: -12.074
tors. eta vs tors. theta energy: -19.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -188.628358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.628358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.628358 (E_RNA)
where:
Base-Base interactions energy: -121.409
where: short stacking energy: -54.149
Base-Backbone interact. energy: -0.005
local terms energy: -67.214676
where:
bonds (distance) C4'-P energy: -15.302
bonds (distance) P-C4' energy: -11.011
flat angles C4'-P-C4' energy: -14.990
flat angles P-C4'-P energy: -10.645
tors. eta vs tors. theta energy: -15.267
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: 4, replica: 4
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -188.710833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.710833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.710833 (E_RNA)
where:
Base-Base interactions energy: -124.440
where: short stacking energy: -41.115
Base-Backbone interact. energy: -0.574
local terms energy: -63.697025
where:
bonds (distance) C4'-P energy: -14.116
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -14.166
flat angles P-C4'-P energy: -12.367
tors. eta vs tors. theta energy: -8.213
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: 5
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -175.354398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.354398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.354398 (E_RNA)
where:
Base-Base interactions energy: -99.820
where: short stacking energy: -55.845
Base-Backbone interact. energy: -0.054
local terms energy: -75.480761
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -17.672
flat angles C4'-P-C4' energy: -14.758
flat angles P-C4'-P energy: -11.145
tors. eta vs tors. theta energy: -16.689
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: 9
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -101.770981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.770981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.770981 (E_RNA)
where:
Base-Base interactions energy: -46.151
where: short stacking energy: -42.021
Base-Backbone interact. energy: -0.128
local terms energy: -55.492543
where:
bonds (distance) C4'-P energy: -9.425
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -8.406
flat angles P-C4'-P energy: -12.610
tors. eta vs tors. theta energy: -8.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -101.708845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.708845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.708845 (E_RNA)
where:
Base-Base interactions energy: -45.013
where: short stacking energy: -37.514
Base-Backbone interact. energy: -0.210
local terms energy: -56.486265
where:
bonds (distance) C4'-P energy: -11.254
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -13.910
flat angles P-C4'-P energy: -11.057
tors. eta vs tors. theta energy: -4.957
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: 1
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -80.547810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.547810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.547810 (E_RNA)
where:
Base-Base interactions energy: -37.070
where: short stacking energy: -25.080
Base-Backbone interact. energy: -0.085
local terms energy: -43.392867
where:
bonds (distance) C4'-P energy: -11.172
bonds (distance) P-C4' energy: -11.502
flat angles C4'-P-C4' energy: -13.912
flat angles P-C4'-P energy: -8.905
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: 9, replica: 10
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -85.397778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.397778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.397778 (E_RNA)
where:
Base-Base interactions energy: -36.362
where: short stacking energy: -23.741
Base-Backbone interact. energy: -1.497
local terms energy: -47.539119
where:
bonds (distance) C4'-P energy: -13.922
bonds (distance) P-C4' energy: -13.902
flat angles C4'-P-C4' energy: -10.530
flat angles P-C4'-P energy: -10.840
tors. eta vs tors. theta energy: 1.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -79.800490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.800490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.800490 (E_RNA)
where:
Base-Base interactions energy: -30.124
where: short stacking energy: -30.124
Base-Backbone interact. energy: -0.003
local terms energy: -49.673755
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -7.230
flat angles C4'-P-C4' energy: -15.375
flat angles P-C4'-P energy: -9.181
tors. eta vs tors. theta energy: -3.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -205.930067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.930067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.930067 (E_RNA)
where:
Base-Base interactions energy: -138.162
where: short stacking energy: -54.062
Base-Backbone interact. energy: -0.594
local terms energy: -67.174710
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -13.498
flat angles C4'-P-C4' energy: -14.046
flat angles P-C4'-P energy: -11.123
tors. eta vs tors. theta energy: -12.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -215.510537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.510537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.510537 (E_RNA)
where:
Base-Base interactions energy: -139.470
where: short stacking energy: -71.727
Base-Backbone interact. energy: -0.208
local terms energy: -75.832655
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -14.264
flat angles C4'-P-C4' energy: -14.788
flat angles P-C4'-P energy: -12.681
tors. eta vs tors. theta energy: -22.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -166.588181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.588181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.588181 (E_RNA)
where:
Base-Base interactions energy: -116.657
where: short stacking energy: -52.920
Base-Backbone interact. energy: -0.762
local terms energy: -49.169134
where:
bonds (distance) C4'-P energy: -13.361
bonds (distance) P-C4' energy: -13.997
flat angles C4'-P-C4' energy: -13.750
flat angles P-C4'-P energy: -4.363
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: 4, replica: 5
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -161.891631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.891631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.891631 (E_RNA)
where:
Base-Base interactions energy: -98.237
where: short stacking energy: -53.120
Base-Backbone interact. energy: -0.174
local terms energy: -63.481110
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -16.112
flat angles P-C4'-P energy: -5.874
tors. eta vs tors. theta energy: -12.400
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: 5, replica: 4
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -175.191975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.191975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.191975 (E_RNA)
where:
Base-Base interactions energy: -126.163
where: short stacking energy: -44.568
Base-Backbone interact. energy: -1.087
local terms energy: -47.942011
where:
bonds (distance) C4'-P energy: -9.055
bonds (distance) P-C4' energy: -9.476
flat angles C4'-P-C4' energy: -14.229
flat angles P-C4'-P energy: -6.745
tors. eta vs tors. theta energy: -8.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -118.151374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.151374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.151374 (E_RNA)
where:
Base-Base interactions energy: -63.504
where: short stacking energy: -43.927
Base-Backbone interact. energy: -1.057
local terms energy: -53.590444
where:
bonds (distance) C4'-P energy: -12.232
bonds (distance) P-C4' energy: -12.871
flat angles C4'-P-C4' energy: -13.173
flat angles P-C4'-P energy: -9.208
tors. eta vs tors. theta energy: -6.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -90.300077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.300077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.300077 (E_RNA)
where:
Base-Base interactions energy: -28.690
where: short stacking energy: -23.338
Base-Backbone interact. energy: -0.154
local terms energy: -61.455950
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -15.768
flat angles C4'-P-C4' energy: -14.894
flat angles P-C4'-P energy: -12.272
tors. eta vs tors. theta energy: -2.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -99.452897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.452897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.452897 (E_RNA)
where:
Base-Base interactions energy: -41.904
where: short stacking energy: -33.551
Base-Backbone interact. energy: -0.060
local terms energy: -57.488587
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -15.821
flat angles P-C4'-P energy: -4.373
tors. eta vs tors. theta energy: -8.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -88.523450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.523450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.523450 (E_RNA)
where:
Base-Base interactions energy: -47.123
where: short stacking energy: -30.291
Base-Backbone interact. energy: -0.063
local terms energy: -41.338017
where:
bonds (distance) C4'-P energy: -9.309
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -13.494
flat angles P-C4'-P energy: -2.838
tors. eta vs tors. theta energy: 0.338
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: 387
Temperature: 1.350000
Total energy: -78.289944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.289944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.289944 (E_RNA)
where:
Base-Base interactions energy: -33.954
where: short stacking energy: -30.369
Base-Backbone interact. energy: -0.227
local terms energy: -44.109005
where:
bonds (distance) C4'-P energy: -9.225
bonds (distance) P-C4' energy: -13.118
flat angles C4'-P-C4' energy: -10.772
flat angles P-C4'-P energy: -6.507
tors. eta vs tors. theta energy: -4.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -211.596222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.596222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.596222 (E_RNA)
where:
Base-Base interactions energy: -145.916
where: short stacking energy: -54.064
Base-Backbone interact. energy: 0.645
local terms energy: -66.324954
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -14.220
flat angles C4'-P-C4' energy: -15.556
flat angles P-C4'-P energy: -12.002
tors. eta vs tors. theta energy: -11.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -210.859987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.859987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.859987 (E_RNA)
where:
Base-Base interactions energy: -130.203
where: short stacking energy: -63.596
Base-Backbone interact. energy: -0.592
local terms energy: -80.064846
where:
bonds (distance) C4'-P energy: -15.739
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -15.375
flat angles P-C4'-P energy: -14.279
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: 3, replica: 8
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -164.593738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.593738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.593738 (E_RNA)
where:
Base-Base interactions energy: -106.567
where: short stacking energy: -57.283
Base-Backbone interact. energy: -0.047
local terms energy: -57.979965
where:
bonds (distance) C4'-P energy: -13.142
bonds (distance) P-C4' energy: -12.345
flat angles C4'-P-C4' energy: -16.490
flat angles P-C4'-P energy: -6.446
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: 4, replica: 5
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -155.283097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.283097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.283097 (E_RNA)
where:
Base-Base interactions energy: -84.147
where: short stacking energy: -48.490
Base-Backbone interact. energy: -1.091
local terms energy: -70.045030
where:
bonds (distance) C4'-P energy: -14.091
bonds (distance) P-C4' energy: -16.011
flat angles C4'-P-C4' energy: -15.960
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: -12.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -167.590003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.590003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.590003 (E_RNA)
where:
Base-Base interactions energy: -105.186
where: short stacking energy: -63.971
Base-Backbone interact. energy: -0.060
local terms energy: -62.344270
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -15.786
flat angles C4'-P-C4' energy: -10.165
flat angles P-C4'-P energy: -8.629
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: 6, replica: 6
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -94.994916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.994916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.994916 (E_RNA)
where:
Base-Base interactions energy: -42.131
where: short stacking energy: -21.183
Base-Backbone interact. energy: -0.182
local terms energy: -52.682107
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -15.250
flat angles P-C4'-P energy: -8.340
tors. eta vs tors. theta energy: -0.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -103.519614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.519614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.519614 (E_RNA)
where:
Base-Base interactions energy: -46.106
where: short stacking energy: -34.875
Base-Backbone interact. energy: -0.021
local terms energy: -57.392477
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -15.151
flat angles C4'-P-C4' energy: -14.507
flat angles P-C4'-P energy: -7.116
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: 8, replica: 9
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -91.179726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.179726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.179726 (E_RNA)
where:
Base-Base interactions energy: -47.237
where: short stacking energy: -25.990
Base-Backbone interact. energy: 0.393
local terms energy: -44.335374
where:
bonds (distance) C4'-P energy: -10.166
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -9.054
flat angles P-C4'-P energy: -10.269
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: 9, replica: 7
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -82.750806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.750806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.750806 (E_RNA)
where:
Base-Base interactions energy: -28.556
where: short stacking energy: -28.556
Base-Backbone interact. energy: -0.278
local terms energy: -53.916268
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -10.805
flat angles C4'-P-C4' energy: -16.092
flat angles P-C4'-P energy: -9.312
tors. eta vs tors. theta energy: -3.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -83.362297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.362297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.362297 (E_RNA)
where:
Base-Base interactions energy: -37.984
where: short stacking energy: -33.808
Base-Backbone interact. energy: -0.141
local terms energy: -45.237728
where:
bonds (distance) C4'-P energy: -10.684
bonds (distance) P-C4' energy: -12.895
flat angles C4'-P-C4' energy: -7.709
flat angles P-C4'-P energy: -9.349
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: 1, replica: 2
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -210.268598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.268598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.268598 (E_RNA)
where:
Base-Base interactions energy: -140.462
where: short stacking energy: -58.775
Base-Backbone interact. energy: -0.145
local terms energy: -69.661869
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -13.938
flat angles C4'-P-C4' energy: -15.736
flat angles P-C4'-P energy: -11.595
tors. eta vs tors. theta energy: -13.682
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: 3
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -211.524554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.524554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.524554 (E_RNA)
where:
Base-Base interactions energy: -140.898
where: short stacking energy: -71.032
Base-Backbone interact. energy: -0.306
local terms energy: -70.319917
where:
bonds (distance) C4'-P energy: -6.111
bonds (distance) P-C4' energy: -14.280
flat angles C4'-P-C4' energy: -18.021
flat angles P-C4'-P energy: -9.112
tors. eta vs tors. theta energy: -22.796
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: 3, replica: 8
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -186.242903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.242903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.242903 (E_RNA)
where:
Base-Base interactions energy: -118.027
where: short stacking energy: -53.333
Base-Backbone interact. energy: -0.277
local terms energy: -67.938835
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -14.724
flat angles P-C4'-P energy: -8.135
tors. eta vs tors. theta energy: -15.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -161.120130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.120130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.120130 (E_RNA)
where:
Base-Base interactions energy: -92.370
where: short stacking energy: -45.704
Base-Backbone interact. energy: 0.876
local terms energy: -69.625945
where:
bonds (distance) C4'-P energy: -10.248
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -18.930
flat angles P-C4'-P energy: -10.515
tors. eta vs tors. theta energy: -13.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -158.068282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.068282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.068282 (E_RNA)
where:
Base-Base interactions energy: -95.877
where: short stacking energy: -48.566
Base-Backbone interact. energy: -0.210
local terms energy: -61.981333
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -14.870
flat angles P-C4'-P energy: -10.191
tors. eta vs tors. theta energy: -7.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -113.568821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.568821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.568821 (E_RNA)
where:
Base-Base interactions energy: -65.857
where: short stacking energy: -37.283
Base-Backbone interact. energy: -0.133
local terms energy: -47.578767
where:
bonds (distance) C4'-P energy: -10.004
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -13.650
flat angles P-C4'-P energy: -2.107
tors. eta vs tors. theta energy: -3.410
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: 7, replica: 6
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -99.315537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.315537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.315537 (E_RNA)
where:
Base-Base interactions energy: -48.382
where: short stacking energy: -32.083
Base-Backbone interact. energy: -1.313
local terms energy: -49.620326
where:
bonds (distance) C4'-P energy: -9.072
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -9.940
flat angles P-C4'-P energy: -7.289
tors. eta vs tors. theta energy: -8.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -81.295367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.295367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.295367 (E_RNA)
where:
Base-Base interactions energy: -35.694
where: short stacking energy: -26.415
Base-Backbone interact. energy: -0.336
local terms energy: -45.265810
where:
bonds (distance) C4'-P energy: -10.115
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -7.656
flat angles P-C4'-P energy: -10.916
tors. eta vs tors. theta energy: -1.845
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: 7
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -90.138769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.138769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.138769 (E_RNA)
where:
Base-Base interactions energy: -32.566
where: short stacking energy: -24.728
Base-Backbone interact. energy: -0.833
local terms energy: -56.740130
where:
bonds (distance) C4'-P energy: -12.574
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -14.989
flat angles P-C4'-P energy: -8.596
tors. eta vs tors. theta energy: -4.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -72.354100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.354100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.354100 (E_RNA)
where:
Base-Base interactions energy: -23.655
where: short stacking energy: -19.418
Base-Backbone interact. energy: -0.274
local terms energy: -48.425575
where:
bonds (distance) C4'-P energy: -12.602
bonds (distance) P-C4' energy: -12.595
flat angles C4'-P-C4' energy: -16.703
flat angles P-C4'-P energy: -5.651
tors. eta vs tors. theta energy: -0.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -218.699689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.699689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.699689 (E_RNA)
where:
Base-Base interactions energy: -141.026
where: short stacking energy: -61.217
Base-Backbone interact. energy: -0.180
local terms energy: -77.493267
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -13.956
tors. eta vs tors. theta energy: -15.613
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: 3
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -220.116231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.116231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.116231 (E_RNA)
where:
Base-Base interactions energy: -138.844
where: short stacking energy: -73.357
Base-Backbone interact. energy: -0.027
local terms energy: -81.245109
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -12.952
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: 5
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -175.691112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.691112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.691112 (E_RNA)
where:
Base-Base interactions energy: -103.695
where: short stacking energy: -59.772
Base-Backbone interact. energy: -0.014
local terms energy: -71.982524
where:
bonds (distance) C4'-P energy: -15.517
bonds (distance) P-C4' energy: -15.510
flat angles C4'-P-C4' energy: -16.266
flat angles P-C4'-P energy: -9.669
tors. eta vs tors. theta energy: -15.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -185.152236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.152236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.152236 (E_RNA)
where:
Base-Base interactions energy: -117.600
where: short stacking energy: -49.774
Base-Backbone interact. energy: -0.758
local terms energy: -66.794345
where:
bonds (distance) C4'-P energy: -14.390
bonds (distance) P-C4' energy: -14.847
flat angles C4'-P-C4' energy: -15.448
flat angles P-C4'-P energy: -11.449
tors. eta vs tors. theta energy: -10.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -176.720419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.720419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.720419 (E_RNA)
where:
Base-Base interactions energy: -107.380
where: short stacking energy: -60.462
Base-Backbone interact. energy: -0.015
local terms energy: -69.324608
where:
bonds (distance) C4'-P energy: -12.831
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -15.529
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: -14.182
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: 10
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -106.588474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.588474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.588474 (E_RNA)
where:
Base-Base interactions energy: -56.776
where: short stacking energy: -40.297
Base-Backbone interact. energy: -1.434
local terms energy: -48.378676
where:
bonds (distance) C4'-P energy: -10.360
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -10.929
flat angles P-C4'-P energy: -10.249
tors. eta vs tors. theta energy: -0.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -100.327067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.327067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.327067 (E_RNA)
where:
Base-Base interactions energy: -48.399
where: short stacking energy: -28.070
Base-Backbone interact. energy: -0.011
local terms energy: -51.916622
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -8.452
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -11.632
tors. eta vs tors. theta energy: -4.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -96.755306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.755306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.755306 (E_RNA)
where:
Base-Base interactions energy: -35.446
where: short stacking energy: -34.447
Base-Backbone interact. energy: -0.048
local terms energy: -61.260645
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -15.620
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: -3.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -89.728733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.728733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.728733 (E_RNA)
where:
Base-Base interactions energy: -37.363
where: short stacking energy: -33.416
Base-Backbone interact. energy: -0.127
local terms energy: -52.238421
where:
bonds (distance) C4'-P energy: -10.895
bonds (distance) P-C4' energy: -13.440
flat angles C4'-P-C4' energy: -12.940
flat angles P-C4'-P energy: -7.881
tors. eta vs tors. theta energy: -7.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -90.910405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.910405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.910405 (E_RNA)
where:
Base-Base interactions energy: -45.169
where: short stacking energy: -33.217
Base-Backbone interact. energy: 0.135
local terms energy: -45.876335
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -10.049
flat angles C4'-P-C4' energy: -7.939
flat angles P-C4'-P energy: -7.470
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: 1, replica: 2
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -211.488879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.488879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.488879 (E_RNA)
where:
Base-Base interactions energy: -136.023
where: short stacking energy: -63.668
Base-Backbone interact. energy: -0.008
local terms energy: -75.458748
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -13.998
flat angles P-C4'-P energy: -11.715
tors. eta vs tors. theta energy: -17.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -218.744268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.744268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.744268 (E_RNA)
where:
Base-Base interactions energy: -145.723
where: short stacking energy: -66.554
Base-Backbone interact. energy: -0.417
local terms energy: -72.604827
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -10.602
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: 3, replica: 5
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -174.567064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.567064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.567064 (E_RNA)
where:
Base-Base interactions energy: -99.932
where: short stacking energy: -61.302
Base-Backbone interact. energy: -0.249
local terms energy: -74.385314
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -11.724
tors. eta vs tors. theta energy: -17.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -150.663523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.663523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.663523 (E_RNA)
where:
Base-Base interactions energy: -87.545
where: short stacking energy: -48.004
Base-Backbone interact. energy: -1.014
local terms energy: -62.104634
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -12.315
flat angles P-C4'-P energy: -11.824
tors. eta vs tors. theta energy: -9.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -168.892544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.892544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.892544 (E_RNA)
where:
Base-Base interactions energy: -114.328
where: short stacking energy: -47.603
Base-Backbone interact. energy: 2.099
local terms energy: -56.664002
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -12.146
flat angles P-C4'-P energy: -4.668
tors. eta vs tors. theta energy: -11.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -108.901367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.901367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.901367 (E_RNA)
where:
Base-Base interactions energy: -49.130
where: short stacking energy: -49.061
Base-Backbone interact. energy: -0.012
local terms energy: -59.758878
where:
bonds (distance) C4'-P energy: -15.065
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -10.540
flat angles P-C4'-P energy: -8.434
tors. eta vs tors. theta energy: -10.575
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: 10
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -144.220329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.220329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.220329 (E_RNA)
where:
Base-Base interactions energy: -82.154
where: short stacking energy: -39.862
Base-Backbone interact. energy: -0.155
local terms energy: -61.911094
where:
bonds (distance) C4'-P energy: -16.743
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -11.928
flat angles P-C4'-P energy: -12.764
tors. eta vs tors. theta energy: -6.788
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: 9
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -103.046925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.046925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.046925 (E_RNA)
where:
Base-Base interactions energy: -52.836
where: short stacking energy: -41.788
Base-Backbone interact. energy: -0.151
local terms energy: -50.060101
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -16.561
flat angles C4'-P-C4' energy: -5.924
flat angles P-C4'-P energy: -7.053
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: 9, replica: 1
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -84.764525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.764525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.764525 (E_RNA)
where:
Base-Base interactions energy: -33.724
where: short stacking energy: -22.462
Base-Backbone interact. energy: -0.870
local terms energy: -50.170908
where:
bonds (distance) C4'-P energy: -14.833
bonds (distance) P-C4' energy: -11.591
flat angles C4'-P-C4' energy: -12.396
flat angles P-C4'-P energy: -9.510
tors. eta vs tors. theta energy: -1.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -81.893248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.893248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.893248 (E_RNA)
where:
Base-Base interactions energy: -33.280
where: short stacking energy: -32.911
Base-Backbone interact. energy: -0.670
local terms energy: -47.943298
where:
bonds (distance) C4'-P energy: -11.843
bonds (distance) P-C4' energy: -11.351
flat angles C4'-P-C4' energy: -13.258
flat angles P-C4'-P energy: -9.298
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: 1, replica: 3
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -223.395863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.395863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.395863 (E_RNA)
where:
Base-Base interactions energy: -153.945
where: short stacking energy: -57.625
Base-Backbone interact. energy: -0.720
local terms energy: -68.731092
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -14.104
flat angles C4'-P-C4' energy: -11.939
flat angles P-C4'-P energy: -8.874
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: 2, replica: 2
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -200.604000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.604000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.604000 (E_RNA)
where:
Base-Base interactions energy: -130.116
where: short stacking energy: -67.593
Base-Backbone interact. energy: 0.554
local terms energy: -71.041962
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -14.736
flat angles C4'-P-C4' energy: -12.640
flat angles P-C4'-P energy: -10.599
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: 4
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -175.168010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.168010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.168010 (E_RNA)
where:
Base-Base interactions energy: -107.091
where: short stacking energy: -55.464
Base-Backbone interact. energy: -0.270
local terms energy: -67.807309
where:
bonds (distance) C4'-P energy: -14.979
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -10.289
tors. eta vs tors. theta energy: -12.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -174.436993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.436993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.436993 (E_RNA)
where:
Base-Base interactions energy: -112.253
where: short stacking energy: -54.726
Base-Backbone interact. energy: -0.069
local terms energy: -62.115688
where:
bonds (distance) C4'-P energy: -11.148
bonds (distance) P-C4' energy: -17.778
flat angles C4'-P-C4' energy: -12.057
flat angles P-C4'-P energy: -6.428
tors. eta vs tors. theta energy: -14.705
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: 8
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -185.351079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.351079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.351079 (E_RNA)
where:
Base-Base interactions energy: -117.194
where: short stacking energy: -59.773
Base-Backbone interact. energy: -0.091
local terms energy: -68.065654
where:
bonds (distance) C4'-P energy: -14.176
bonds (distance) P-C4' energy: -17.947
flat angles C4'-P-C4' energy: -14.085
flat angles P-C4'-P energy: -8.302
tors. eta vs tors. theta energy: -13.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -115.261279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.261279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.261279 (E_RNA)
where:
Base-Base interactions energy: -49.451
where: short stacking energy: -36.216
Base-Backbone interact. energy: -0.557
local terms energy: -65.252943
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -17.349
flat angles C4'-P-C4' energy: -13.207
flat angles P-C4'-P energy: -13.771
tors. eta vs tors. theta energy: -5.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -113.877711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.877711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.877711 (E_RNA)
where:
Base-Base interactions energy: -64.682
where: short stacking energy: -39.207
Base-Backbone interact. energy: -0.074
local terms energy: -49.121452
where:
bonds (distance) C4'-P energy: -2.453
bonds (distance) P-C4' energy: -15.011
flat angles C4'-P-C4' energy: -16.007
flat angles P-C4'-P energy: -8.508
tors. eta vs tors. theta energy: -7.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -107.337643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.337643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.337643 (E_RNA)
where:
Base-Base interactions energy: -52.556
where: short stacking energy: -29.685
Base-Backbone interact. energy: -0.042
local terms energy: -54.739706
where:
bonds (distance) C4'-P energy: -13.195
bonds (distance) P-C4' energy: -14.400
flat angles C4'-P-C4' energy: -10.668
flat angles P-C4'-P energy: -11.169
tors. eta vs tors. theta energy: -5.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -84.825277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.825277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.825277 (E_RNA)
where:
Base-Base interactions energy: -30.454
where: short stacking energy: -26.889
Base-Backbone interact. energy: -0.115
local terms energy: -54.256555
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -12.816
flat angles P-C4'-P energy: -4.800
tors. eta vs tors. theta energy: -3.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -93.505218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.505218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.505218 (E_RNA)
where:
Base-Base interactions energy: -51.654
where: short stacking energy: -29.628
Base-Backbone interact. energy: -0.169
local terms energy: -41.682144
where:
bonds (distance) C4'-P energy: -9.180
bonds (distance) P-C4' energy: -14.979
flat angles C4'-P-C4' energy: -7.882
flat angles P-C4'-P energy: -10.670
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: 1, replica: 3
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -223.317199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.317199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.317199 (E_RNA)
where:
Base-Base interactions energy: -151.584
where: short stacking energy: -59.196
Base-Backbone interact. energy: -0.134
local terms energy: -71.599610
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -16.715
flat angles C4'-P-C4' energy: -12.012
flat angles P-C4'-P energy: -8.680
tors. eta vs tors. theta energy: -22.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -206.921656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.921656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.921656 (E_RNA)
where:
Base-Base interactions energy: -129.817
where: short stacking energy: -59.601
Base-Backbone interact. energy: -0.180
local terms energy: -76.924857
where:
bonds (distance) C4'-P energy: -14.571
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -17.571
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: -17.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -179.214724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.214724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.214724 (E_RNA)
where:
Base-Base interactions energy: -110.760
where: short stacking energy: -51.454
Base-Backbone interact. energy: -0.906
local terms energy: -67.548688
where:
bonds (distance) C4'-P energy: -15.069
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -15.626
flat angles P-C4'-P energy: -9.623
tors. eta vs tors. theta energy: -13.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -181.607964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.607964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.607964 (E_RNA)
where:
Base-Base interactions energy: -116.910
where: short stacking energy: -53.866
Base-Backbone interact. energy: 0.320
local terms energy: -65.017624
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -15.515
flat angles C4'-P-C4' energy: -11.217
flat angles P-C4'-P energy: -8.652
tors. eta vs tors. theta energy: -16.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -150.347346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.347346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.347346 (E_RNA)
where:
Base-Base interactions energy: -85.271
where: short stacking energy: -50.778
Base-Backbone interact. energy: -0.172
local terms energy: -64.904245
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -17.108
flat angles P-C4'-P energy: -10.271
tors. eta vs tors. theta energy: -8.117
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: 9
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -99.160632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.160632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.160632 (E_RNA)
where:
Base-Base interactions energy: -42.353
where: short stacking energy: -32.057
Base-Backbone interact. energy: 0.244
local terms energy: -57.051401
where:
bonds (distance) C4'-P energy: -10.319
bonds (distance) P-C4' energy: -15.918
flat angles C4'-P-C4' energy: -9.450
flat angles P-C4'-P energy: -13.128
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: 7, replica: 6
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -102.543308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.543308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.543308 (E_RNA)
where:
Base-Base interactions energy: -55.176
where: short stacking energy: -35.094
Base-Backbone interact. energy: -0.174
local terms energy: -47.193274
where:
bonds (distance) C4'-P energy: -13.220
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -11.870
flat angles P-C4'-P energy: -3.444
tors. eta vs tors. theta energy: -6.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -86.227437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.227437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.227437 (E_RNA)
where:
Base-Base interactions energy: -31.052
where: short stacking energy: -31.052
Base-Backbone interact. energy: -0.815
local terms energy: -54.360593
where:
bonds (distance) C4'-P energy: -16.276
bonds (distance) P-C4' energy: -12.385
flat angles C4'-P-C4' energy: -12.773
flat angles P-C4'-P energy: -9.444
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: 9, replica: 7
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -79.386184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.386184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.386184 (E_RNA)
where:
Base-Base interactions energy: -30.308
where: short stacking energy: -28.927
Base-Backbone interact. energy: -0.075
local terms energy: -49.003393
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -10.116
flat angles C4'-P-C4' energy: -15.686
flat angles P-C4'-P energy: -8.528
tors. eta vs tors. theta energy: -2.049
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: 1
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -72.046493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.046493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.046493 (E_RNA)
where:
Base-Base interactions energy: -29.346
where: short stacking energy: -25.477
Base-Backbone interact. energy: 0.773
local terms energy: -43.472532
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -12.277
flat angles P-C4'-P energy: -6.313
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: 1, replica: 3
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -224.399192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.399192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.399192 (E_RNA)
where:
Base-Base interactions energy: -147.226
where: short stacking energy: -58.205
Base-Backbone interact. energy: -0.053
local terms energy: -77.119801
where:
bonds (distance) C4'-P energy: -15.949
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -14.169
flat angles P-C4'-P energy: -10.253
tors. eta vs tors. theta energy: -19.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -199.703996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.703996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.703996 (E_RNA)
where:
Base-Base interactions energy: -129.584
where: short stacking energy: -50.386
Base-Backbone interact. energy: -0.004
local terms energy: -70.115232
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -11.115
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -16.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -179.427440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.427440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.427440 (E_RNA)
where:
Base-Base interactions energy: -109.289
where: short stacking energy: -53.207
Base-Backbone interact. energy: 0.947
local terms energy: -71.085552
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -14.496
flat angles C4'-P-C4' energy: -15.362
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: -13.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -171.090355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.090355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.090355 (E_RNA)
where:
Base-Base interactions energy: -106.655
where: short stacking energy: -54.373
Base-Backbone interact. energy: -0.193
local terms energy: -64.242421
where:
bonds (distance) C4'-P energy: -11.950
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -15.903
flat angles P-C4'-P energy: -9.632
tors. eta vs tors. theta energy: -11.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -121.265219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.265219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.265219 (E_RNA)
where:
Base-Base interactions energy: -67.878
where: short stacking energy: -42.894
Base-Backbone interact. energy: -0.080
local terms energy: -53.307234
where:
bonds (distance) C4'-P energy: -16.095
bonds (distance) P-C4' energy: -13.616
flat angles C4'-P-C4' energy: -12.854
flat angles P-C4'-P energy: 0.084
tors. eta vs tors. theta energy: -10.827
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: 6, replica: 5
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -152.852118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.852118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.852118 (E_RNA)
where:
Base-Base interactions energy: -89.880
where: short stacking energy: -49.199
Base-Backbone interact. energy: -0.001
local terms energy: -62.971934
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -14.037
flat angles C4'-P-C4' energy: -13.703
flat angles P-C4'-P energy: -8.468
tors. eta vs tors. theta energy: -13.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -92.610203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.610203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.610203 (E_RNA)
where:
Base-Base interactions energy: -34.710
where: short stacking energy: -32.845
Base-Backbone interact. energy: 1.628
local terms energy: -59.528516
where:
bonds (distance) C4'-P energy: -17.248
bonds (distance) P-C4' energy: -13.962
flat angles C4'-P-C4' energy: -9.785
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -7.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -84.282700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.282700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.282700 (E_RNA)
where:
Base-Base interactions energy: -40.910
where: short stacking energy: -30.663
Base-Backbone interact. energy: 3.148
local terms energy: -46.520678
where:
bonds (distance) C4'-P energy: -10.981
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -11.473
flat angles P-C4'-P energy: -7.473
tors. eta vs tors. theta energy: -1.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -84.634563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.634563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.634563 (E_RNA)
where:
Base-Base interactions energy: -26.843
where: short stacking energy: -25.155
Base-Backbone interact. energy: -0.736
local terms energy: -57.055272
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -14.775
flat angles P-C4'-P energy: -11.138
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: 10, replica: 7
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -85.340927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.340927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.340927 (E_RNA)
where:
Base-Base interactions energy: -30.474
where: short stacking energy: -30.474
Base-Backbone interact. energy: -0.901
local terms energy: -53.965997
where:
bonds (distance) C4'-P energy: -9.304
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -14.971
flat angles P-C4'-P energy: -9.694
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: 1, replica: 3
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -203.806025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.806025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.806025 (E_RNA)
where:
Base-Base interactions energy: -129.734
where: short stacking energy: -57.115
Base-Backbone interact. energy: -0.558
local terms energy: -73.514114
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -15.435
flat angles P-C4'-P energy: -9.770
tors. eta vs tors. theta energy: -16.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -187.788262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.788262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.788262 (E_RNA)
where:
Base-Base interactions energy: -122.385
where: short stacking energy: -56.702
Base-Backbone interact. energy: -0.610
local terms energy: -64.793136
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -13.574
flat angles P-C4'-P energy: -9.116
tors. eta vs tors. theta energy: -12.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -186.885481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.885481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.885481 (E_RNA)
where:
Base-Base interactions energy: -121.824
where: short stacking energy: -47.773
Base-Backbone interact. energy: -0.246
local terms energy: -64.815254
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -11.341
tors. eta vs tors. theta energy: -9.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -176.475486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.475486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.475486 (E_RNA)
where:
Base-Base interactions energy: -106.313
where: short stacking energy: -55.514
Base-Backbone interact. energy: -0.233
local terms energy: -69.929948
where:
bonds (distance) C4'-P energy: -10.294
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -10.713
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: 5, replica: 9
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -105.553370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.553370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.553370 (E_RNA)
where:
Base-Base interactions energy: -47.396
where: short stacking energy: -28.491
Base-Backbone interact. energy: -0.173
local terms energy: -57.984653
where:
bonds (distance) C4'-P energy: -12.634
bonds (distance) P-C4' energy: -14.407
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -11.806
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: 6, replica: 5
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -174.206921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.206921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.206921 (E_RNA)
where:
Base-Base interactions energy: -107.982
where: short stacking energy: -65.457
Base-Backbone interact. energy: -0.937
local terms energy: -65.287790
where:
bonds (distance) C4'-P energy: -13.831
bonds (distance) P-C4' energy: -12.432
flat angles C4'-P-C4' energy: -14.705
flat angles P-C4'-P energy: -9.281
tors. eta vs tors. theta energy: -15.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -106.188338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.188338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.188338 (E_RNA)
where:
Base-Base interactions energy: -45.731
where: short stacking energy: -38.775
Base-Backbone interact. energy: 0.427
local terms energy: -60.884389
where:
bonds (distance) C4'-P energy: -17.014
bonds (distance) P-C4' energy: -10.909
flat angles C4'-P-C4' energy: -13.200
flat angles P-C4'-P energy: -10.954
tors. eta vs tors. theta energy: -8.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -83.707693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.707693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.707693 (E_RNA)
where:
Base-Base interactions energy: -37.359
where: short stacking energy: -28.317
Base-Backbone interact. energy: -0.204
local terms energy: -46.144292
where:
bonds (distance) C4'-P energy: -8.223
bonds (distance) P-C4' energy: -11.968
flat angles C4'-P-C4' energy: -10.980
flat angles P-C4'-P energy: -12.918
tors. eta vs tors. theta energy: -2.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -88.523683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.523683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.523683 (E_RNA)
where:
Base-Base interactions energy: -38.780
where: short stacking energy: -34.873
Base-Backbone interact. energy: 0.033
local terms energy: -49.776780
where:
bonds (distance) C4'-P energy: -6.979
bonds (distance) P-C4' energy: -17.687
flat angles C4'-P-C4' energy: -9.919
flat angles P-C4'-P energy: -9.373
tors. eta vs tors. theta energy: -5.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -83.067586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.067586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.067586 (E_RNA)
where:
Base-Base interactions energy: -29.682
where: short stacking energy: -26.160
Base-Backbone interact. energy: -0.247
local terms energy: -53.138505
where:
bonds (distance) C4'-P energy: -10.910
bonds (distance) P-C4' energy: -15.861
flat angles C4'-P-C4' energy: -13.717
flat angles P-C4'-P energy: -11.060
tors. eta vs tors. theta energy: -1.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -215.302198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.302198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.302198 (E_RNA)
where:
Base-Base interactions energy: -141.847
where: short stacking energy: -56.335
Base-Backbone interact. energy: -0.101
local terms energy: -73.354831
where:
bonds (distance) C4'-P energy: -10.961
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -17.708
flat angles P-C4'-P energy: -11.259
tors. eta vs tors. theta energy: -17.948
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: 2, replica: 2
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -198.966371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.966371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.966371 (E_RNA)
where:
Base-Base interactions energy: -129.327
where: short stacking energy: -56.240
Base-Backbone interact. energy: -0.035
local terms energy: -69.605009
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -14.394
flat angles C4'-P-C4' energy: -14.749
flat angles P-C4'-P energy: -11.462
tors. eta vs tors. theta energy: -12.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -209.420884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.420884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.420884 (E_RNA)
where:
Base-Base interactions energy: -140.532
where: short stacking energy: -46.332
Base-Backbone interact. energy: 0.366
local terms energy: -69.255515
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -15.788
flat angles P-C4'-P energy: -10.552
tors. eta vs tors. theta energy: -14.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -178.105707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.105707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.105707 (E_RNA)
where:
Base-Base interactions energy: -108.011
where: short stacking energy: -45.966
Base-Backbone interact. energy: -0.475
local terms energy: -69.619263
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -16.809
flat angles C4'-P-C4' energy: -12.278
flat angles P-C4'-P energy: -9.513
tors. eta vs tors. theta energy: -14.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -112.702780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.702780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.702780 (E_RNA)
where:
Base-Base interactions energy: -50.817
where: short stacking energy: -44.199
Base-Backbone interact. energy: 0.108
local terms energy: -61.993937
where:
bonds (distance) C4'-P energy: -11.264
bonds (distance) P-C4' energy: -14.214
flat angles C4'-P-C4' energy: -13.695
flat angles P-C4'-P energy: -11.497
tors. eta vs tors. theta energy: -11.324
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: 5
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -123.484493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.484493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.484493 (E_RNA)
where:
Base-Base interactions energy: -61.790
where: short stacking energy: -46.461
Base-Backbone interact. energy: -0.004
local terms energy: -61.689952
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -10.495
flat angles P-C4'-P energy: -7.814
tors. eta vs tors. theta energy: -14.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -99.858612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.858612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.858612 (E_RNA)
where:
Base-Base interactions energy: -43.877
where: short stacking energy: -43.324
Base-Backbone interact. energy: 0.452
local terms energy: -56.433802
where:
bonds (distance) C4'-P energy: -12.513
bonds (distance) P-C4' energy: -12.756
flat angles C4'-P-C4' energy: -16.138
flat angles P-C4'-P energy: -5.036
tors. eta vs tors. theta energy: -9.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -88.883596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.883596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.883596 (E_RNA)
where:
Base-Base interactions energy: -41.914
where: short stacking energy: -23.687
Base-Backbone interact. energy: -1.124
local terms energy: -45.845183
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -12.387
flat angles C4'-P-C4' energy: -9.462
flat angles P-C4'-P energy: -8.392
tors. eta vs tors. theta energy: -1.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -85.787562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.787562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.787562 (E_RNA)
where:
Base-Base interactions energy: -28.491
where: short stacking energy: -28.711
Base-Backbone interact. energy: -0.037
local terms energy: -57.259540
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -10.338
flat angles P-C4'-P energy: -11.295
tors. eta vs tors. theta energy: -5.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -77.749799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.749799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.749799 (E_RNA)
where:
Base-Base interactions energy: -28.480
where: short stacking energy: -28.480
Base-Backbone interact. energy: 0.245
local terms energy: -49.515068
where:
bonds (distance) C4'-P energy: -7.698
bonds (distance) P-C4' energy: -16.186
flat angles C4'-P-C4' energy: -16.545
flat angles P-C4'-P energy: -9.920
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: 1, replica: 3
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -213.583119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.583119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.583119 (E_RNA)
where:
Base-Base interactions energy: -134.317
where: short stacking energy: -70.342
Base-Backbone interact. energy: -0.649
local terms energy: -78.616998
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -13.781
flat angles C4'-P-C4' energy: -17.239
flat angles P-C4'-P energy: -10.970
tors. eta vs tors. theta energy: -23.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -169.234868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.234868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.234868 (E_RNA)
where:
Base-Base interactions energy: -105.001
where: short stacking energy: -51.412
Base-Backbone interact. energy: -0.900
local terms energy: -63.333727
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -13.387
flat angles P-C4'-P energy: -6.909
tors. eta vs tors. theta energy: -14.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -175.114457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.114457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.114457 (E_RNA)
where:
Base-Base interactions energy: -116.377
where: short stacking energy: -44.706
Base-Backbone interact. energy: -0.111
local terms energy: -58.626998
where:
bonds (distance) C4'-P energy: -8.527
bonds (distance) P-C4' energy: -14.305
flat angles C4'-P-C4' energy: -13.171
flat angles P-C4'-P energy: -10.100
tors. eta vs tors. theta energy: -12.524
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: 397
Temperature: 1.050000
Total energy: -168.669301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.669301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.669301 (E_RNA)
where:
Base-Base interactions energy: -111.880
where: short stacking energy: -43.196
Base-Backbone interact. energy: -0.220
local terms energy: -56.569143
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -11.706
flat angles C4'-P-C4' energy: -12.447
flat angles P-C4'-P energy: -12.389
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: 5, replica: 9
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -124.154467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.154467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.154467 (E_RNA)
where:
Base-Base interactions energy: -60.304
where: short stacking energy: -50.672
Base-Backbone interact. energy: -0.120
local terms energy: -63.730429
where:
bonds (distance) C4'-P energy: -11.459
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -15.045
flat angles P-C4'-P energy: -11.226
tors. eta vs tors. theta energy: -10.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -86.815510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.815510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.815510 (E_RNA)
where:
Base-Base interactions energy: -32.444
where: short stacking energy: -31.448
Base-Backbone interact. energy: 0.633
local terms energy: -55.003914
where:
bonds (distance) C4'-P energy: -10.498
bonds (distance) P-C4' energy: -12.805
flat angles C4'-P-C4' energy: -14.915
flat angles P-C4'-P energy: -12.258
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: 7, replica: 1
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -93.723493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.723493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.723493 (E_RNA)
where:
Base-Base interactions energy: -40.876
where: short stacking energy: -32.081
Base-Backbone interact. energy: -0.133
local terms energy: -52.714997
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -10.714
flat angles P-C4'-P energy: -8.058
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: 8, replica: 7
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -87.310261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.310261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.310261 (E_RNA)
where:
Base-Base interactions energy: -34.633
where: short stacking energy: -29.719
Base-Backbone interact. energy: -0.468
local terms energy: -52.209829
where:
bonds (distance) C4'-P energy: -8.329
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -14.244
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: -5.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -84.656294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.656294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.656294 (E_RNA)
where:
Base-Base interactions energy: -37.469
where: short stacking energy: -32.186
Base-Backbone interact. energy: -0.500
local terms energy: -46.687190
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -6.944
flat angles C4'-P-C4' energy: -14.756
flat angles P-C4'-P energy: -7.967
tors. eta vs tors. theta energy: -1.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -79.222175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.222175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.222175 (E_RNA)
where:
Base-Base interactions energy: -29.840
where: short stacking energy: -29.840
Base-Backbone interact. energy: -0.451
local terms energy: -48.931636
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -12.489
flat angles C4'-P-C4' energy: -12.144
flat angles P-C4'-P energy: -7.505
tors. eta vs tors. theta energy: -2.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -211.484635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.484635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.484635 (E_RNA)
where:
Base-Base interactions energy: -134.294
where: short stacking energy: -62.814
Base-Backbone interact. energy: -1.484
local terms energy: -75.707179
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -13.756
flat angles C4'-P-C4' energy: -15.779
flat angles P-C4'-P energy: -12.507
tors. eta vs tors. theta energy: -18.316
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: 8
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -173.408420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.408420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.408420 (E_RNA)
where:
Base-Base interactions energy: -105.243
where: short stacking energy: -57.108
Base-Backbone interact. energy: -1.576
local terms energy: -66.589571
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -16.773
flat angles P-C4'-P energy: -9.782
tors. eta vs tors. theta energy: -11.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -185.759836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.759836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.759836 (E_RNA)
where:
Base-Base interactions energy: -119.517
where: short stacking energy: -55.942
Base-Backbone interact. energy: -0.067
local terms energy: -66.176586
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -18.126
flat angles C4'-P-C4' energy: -11.834
flat angles P-C4'-P energy: -6.472
tors. eta vs tors. theta energy: -14.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -172.014638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.014638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.014638 (E_RNA)
where:
Base-Base interactions energy: -104.164
where: short stacking energy: -48.419
Base-Backbone interact. energy: -0.394
local terms energy: -67.455837
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -12.844
flat angles P-C4'-P energy: -7.571
tors. eta vs tors. theta energy: -12.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -103.414667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.414667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.414667 (E_RNA)
where:
Base-Base interactions energy: -46.131
where: short stacking energy: -43.700
Base-Backbone interact. energy: -0.059
local terms energy: -57.224695
where:
bonds (distance) C4'-P energy: -11.689
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -12.392
flat angles P-C4'-P energy: -10.477
tors. eta vs tors. theta energy: -7.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -89.504007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.504007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.504007 (E_RNA)
where:
Base-Base interactions energy: -36.824
where: short stacking energy: -22.432
Base-Backbone interact. energy: -2.161
local terms energy: -50.518906
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -13.363
flat angles C4'-P-C4' energy: -12.803
flat angles P-C4'-P energy: -6.867
tors. eta vs tors. theta energy: -4.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -109.366591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.366591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.366591 (E_RNA)
where:
Base-Base interactions energy: -53.618
where: short stacking energy: -28.487
Base-Backbone interact. energy: -1.367
local terms energy: -54.381039
where:
bonds (distance) C4'-P energy: -13.692
bonds (distance) P-C4' energy: -16.669
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -6.687
tors. eta vs tors. theta energy: -2.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -96.465475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.465475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.465475 (E_RNA)
where:
Base-Base interactions energy: -39.452
where: short stacking energy: -37.033
Base-Backbone interact. energy: -0.032
local terms energy: -56.981050
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -8.720
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -10.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -75.978903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.978903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.978903 (E_RNA)
where:
Base-Base interactions energy: -23.186
where: short stacking energy: -21.169
Base-Backbone interact. energy: 1.165
local terms energy: -53.957765
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -17.799
flat angles C4'-P-C4' energy: -14.466
flat angles P-C4'-P energy: -5.907
tors. eta vs tors. theta energy: -3.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -79.016986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.016986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.016986 (E_RNA)
where:
Base-Base interactions energy: -23.541
where: short stacking energy: -23.541
Base-Backbone interact. energy: -0.506
local terms energy: -54.969773
where:
bonds (distance) C4'-P energy: -16.284
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -11.944
flat angles P-C4'-P energy: -9.785
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)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -230.277984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.277984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.277984 (E_RNA)
where:
Base-Base interactions energy: -149.760
where: short stacking energy: -71.319
Base-Backbone interact. energy: -0.018
local terms energy: -80.499643
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -17.593
flat angles P-C4'-P energy: -12.833
tors. eta vs tors. theta energy: -21.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -182.057119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.057119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.057119 (E_RNA)
where:
Base-Base interactions energy: -106.864
where: short stacking energy: -56.439
Base-Backbone interact. energy: -0.011
local terms energy: -75.182617
where:
bonds (distance) C4'-P energy: -17.063
bonds (distance) P-C4' energy: -17.654
flat angles C4'-P-C4' energy: -14.518
flat angles P-C4'-P energy: -8.638
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: 2
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -179.793378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.793378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.793378 (E_RNA)
where:
Base-Base interactions energy: -113.791
where: short stacking energy: -62.150
Base-Backbone interact. energy: -0.596
local terms energy: -65.406508
where:
bonds (distance) C4'-P energy: -8.232
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -15.384
flat angles P-C4'-P energy: -11.371
tors. eta vs tors. theta energy: -13.993
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: 4
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -178.695200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.695200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.695200 (E_RNA)
where:
Base-Base interactions energy: -107.298
where: short stacking energy: -60.051
Base-Backbone interact. energy: -1.383
local terms energy: -70.014699
where:
bonds (distance) C4'-P energy: -11.535
bonds (distance) P-C4' energy: -16.212
flat angles C4'-P-C4' energy: -14.998
flat angles P-C4'-P energy: -10.882
tors. eta vs tors. theta energy: -16.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -108.971724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.971724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.971724 (E_RNA)
where:
Base-Base interactions energy: -56.784
where: short stacking energy: -29.701
Base-Backbone interact. energy: 1.522
local terms energy: -53.709555
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -15.071
flat angles C4'-P-C4' energy: -10.327
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -4.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -117.300119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.300119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.300119 (E_RNA)
where:
Base-Base interactions energy: -69.256
where: short stacking energy: -22.532
Base-Backbone interact. energy: -0.398
local terms energy: -47.646035
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -12.003
flat angles C4'-P-C4' energy: -12.382
flat angles P-C4'-P energy: -11.987
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: 7, replica: 9
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -100.613633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.613633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.613633 (E_RNA)
where:
Base-Base interactions energy: -49.778
where: short stacking energy: -36.061
Base-Backbone interact. energy: -0.491
local terms energy: -50.344213
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -13.144
flat angles C4'-P-C4' energy: -8.358
flat angles P-C4'-P energy: -7.382
tors. eta vs tors. theta energy: -6.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -105.474662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.474662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.474662 (E_RNA)
where:
Base-Base interactions energy: -56.259
where: short stacking energy: -33.206
Base-Backbone interact. energy: 1.205
local terms energy: -50.421200
where:
bonds (distance) C4'-P energy: -9.586
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -7.709
flat angles P-C4'-P energy: -11.038
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: 9, replica: 7
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -86.761055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.761055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.761055 (E_RNA)
where:
Base-Base interactions energy: -47.691
where: short stacking energy: -38.066
Base-Backbone interact. energy: 1.666
local terms energy: -40.736449
where:
bonds (distance) C4'-P energy: -13.563
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -6.118
flat angles P-C4'-P energy: -5.801
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: 10, replica: 10
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -79.958772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.958772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.958772 (E_RNA)
where:
Base-Base interactions energy: -41.580
where: short stacking energy: -40.007
Base-Backbone interact. energy: -0.246
local terms energy: -38.132676
where:
bonds (distance) C4'-P energy: -8.030
bonds (distance) P-C4' energy: -5.107
flat angles C4'-P-C4' energy: -14.645
flat angles P-C4'-P energy: -2.668
tors. eta vs tors. theta energy: -7.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -220.536001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.536001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.536001 (E_RNA)
where:
Base-Base interactions energy: -141.484
where: short stacking energy: -62.418
Base-Backbone interact. energy: -0.463
local terms energy: -78.589382
where:
bonds (distance) C4'-P energy: -11.872
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -17.677
flat angles P-C4'-P energy: -13.071
tors. eta vs tors. theta energy: -20.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -190.105360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.105360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.105360 (E_RNA)
where:
Base-Base interactions energy: -112.559
where: short stacking energy: -64.600
Base-Backbone interact. energy: 0.263
local terms energy: -77.809850
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -18.337
flat angles C4'-P-C4' energy: -16.277
flat angles P-C4'-P energy: -10.353
tors. eta vs tors. theta energy: -19.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -193.858929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.858929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.858929 (E_RNA)
where:
Base-Base interactions energy: -116.287
where: short stacking energy: -56.109
Base-Backbone interact. energy: -1.243
local terms energy: -76.329310
where:
bonds (distance) C4'-P energy: -16.720
bonds (distance) P-C4' energy: -17.521
flat angles C4'-P-C4' energy: -15.359
flat angles P-C4'-P energy: -10.323
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: 4, replica: 4
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -166.689864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.689864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.689864 (E_RNA)
where:
Base-Base interactions energy: -93.713
where: short stacking energy: -52.777
Base-Backbone interact. energy: -0.145
local terms energy: -72.832442
where:
bonds (distance) C4'-P energy: -14.196
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -17.663
flat angles P-C4'-P energy: -9.893
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: 5, replica: 1
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -127.378530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.378530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.378530 (E_RNA)
where:
Base-Base interactions energy: -63.762
where: short stacking energy: -46.729
Base-Backbone interact. energy: -0.546
local terms energy: -63.070849
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -14.622
flat angles C4'-P-C4' energy: -16.180
flat angles P-C4'-P energy: -8.039
tors. eta vs tors. theta energy: -9.613
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: 6, replica: 5
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -110.056495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.056495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.056495 (E_RNA)
where:
Base-Base interactions energy: -47.705
where: short stacking energy: -43.519
Base-Backbone interact. energy: -0.027
local terms energy: -62.324962
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -15.379
flat angles C4'-P-C4' energy: -16.238
flat angles P-C4'-P energy: -6.686
tors. eta vs tors. theta energy: -8.285
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: 6
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -96.057293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.057293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.057293 (E_RNA)
where:
Base-Base interactions energy: -48.977
where: short stacking energy: -19.993
Base-Backbone interact. energy: 0.474
local terms energy: -47.554459
where:
bonds (distance) C4'-P energy: -14.633
bonds (distance) P-C4' energy: -14.883
flat angles C4'-P-C4' energy: -9.978
flat angles P-C4'-P energy: -5.243
tors. eta vs tors. theta energy: -2.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -107.478737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.478737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.478737 (E_RNA)
where:
Base-Base interactions energy: -41.952
where: short stacking energy: -41.952
Base-Backbone interact. energy: -0.054
local terms energy: -65.472301
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -13.061
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: -13.493
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: 9, replica: 10
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -81.613308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.613308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.613308 (E_RNA)
where:
Base-Base interactions energy: -30.416
where: short stacking energy: -30.305
Base-Backbone interact. energy: -0.509
local terms energy: -50.689068
where:
bonds (distance) C4'-P energy: -11.561
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -13.054
flat angles P-C4'-P energy: -6.679
tors. eta vs tors. theta energy: -3.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -73.902629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.902629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.902629 (E_RNA)
where:
Base-Base interactions energy: -25.970
where: short stacking energy: -16.532
Base-Backbone interact. energy: 0.288
local terms energy: -48.220235
where:
bonds (distance) C4'-P energy: -15.702
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -16.495
flat angles P-C4'-P energy: -4.512
tors. eta vs tors. theta energy: 2.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -213.330202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.330202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.330202 (E_RNA)
where:
Base-Base interactions energy: -138.718
where: short stacking energy: -69.950
Base-Backbone interact. energy: -0.220
local terms energy: -74.392877
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -11.334
flat angles C4'-P-C4' energy: -16.838
flat angles P-C4'-P energy: -10.360
tors. eta vs tors. theta energy: -21.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -202.460980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.460980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.460980 (E_RNA)
where:
Base-Base interactions energy: -132.404
where: short stacking energy: -53.360
Base-Backbone interact. energy: 0.472
local terms energy: -70.529527
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -13.505
flat angles P-C4'-P energy: -11.363
tors. eta vs tors. theta energy: -14.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -188.695594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.695594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.695594 (E_RNA)
where:
Base-Base interactions energy: -124.287
where: short stacking energy: -53.867
Base-Backbone interact. energy: -0.705
local terms energy: -63.703164
where:
bonds (distance) C4'-P energy: -14.240
bonds (distance) P-C4' energy: -13.277
flat angles C4'-P-C4' energy: -11.333
flat angles P-C4'-P energy: -11.643
tors. eta vs tors. theta energy: -13.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -157.874181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.874181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.874181 (E_RNA)
where:
Base-Base interactions energy: -97.282
where: short stacking energy: -46.668
Base-Backbone interact. energy: -0.016
local terms energy: -60.576436
where:
bonds (distance) C4'-P energy: -16.652
bonds (distance) P-C4' energy: -12.120
flat angles C4'-P-C4' energy: -14.316
flat angles P-C4'-P energy: -5.616
tors. eta vs tors. theta energy: -11.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -129.612565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.612565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.612565 (E_RNA)
where:
Base-Base interactions energy: -72.668
where: short stacking energy: -34.038
Base-Backbone interact. energy: -1.736
local terms energy: -55.208523
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -14.014
flat angles P-C4'-P energy: -10.786
tors. eta vs tors. theta energy: -2.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -109.271588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.271588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.271588 (E_RNA)
where:
Base-Base interactions energy: -44.220
where: short stacking energy: -41.965
Base-Backbone interact. energy: -0.109
local terms energy: -64.941980
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -16.990
flat angles C4'-P-C4' energy: -15.236
flat angles P-C4'-P energy: -8.587
tors. eta vs tors. theta energy: -8.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -83.933583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.933583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.933583 (E_RNA)
where:
Base-Base interactions energy: -29.765
where: short stacking energy: -29.765
Base-Backbone interact. energy: -0.391
local terms energy: -53.777647
where:
bonds (distance) C4'-P energy: -11.789
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -13.603
flat angles P-C4'-P energy: -9.432
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: 8, replica: 10
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -89.487666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.487666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.487666 (E_RNA)
where:
Base-Base interactions energy: -31.862
where: short stacking energy: -31.223
Base-Backbone interact. energy: -0.069
local terms energy: -57.556589
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -13.791
flat angles C4'-P-C4' energy: -13.098
flat angles P-C4'-P energy: -7.028
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: 9
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -90.639240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.639240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.639240 (E_RNA)
where:
Base-Base interactions energy: -37.894
where: short stacking energy: -37.729
Base-Backbone interact. energy: -0.549
local terms energy: -52.196529
where:
bonds (distance) C4'-P energy: -10.248
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -14.008
flat angles P-C4'-P energy: -9.262
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: 7
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -74.855984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.855984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.855984 (E_RNA)
where:
Base-Base interactions energy: -28.303
where: short stacking energy: -27.013
Base-Backbone interact. energy: -0.050
local terms energy: -46.502507
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -16.046
flat angles C4'-P-C4' energy: -11.021
flat angles P-C4'-P energy: 0.429
tors. eta vs tors. theta energy: -4.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -212.286863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.286863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.286863 (E_RNA)
where:
Base-Base interactions energy: -137.016
where: short stacking energy: -63.234
Base-Backbone interact. energy: -0.179
local terms energy: -75.091158
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -13.822
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -11.304
tors. eta vs tors. theta energy: -18.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -201.728959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.728959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.728959 (E_RNA)
where:
Base-Base interactions energy: -133.716
where: short stacking energy: -61.098
Base-Backbone interact. energy: -0.003
local terms energy: -68.009294
where:
bonds (distance) C4'-P energy: -13.819
bonds (distance) P-C4' energy: -13.520
flat angles C4'-P-C4' energy: -12.969
flat angles P-C4'-P energy: -11.202
tors. eta vs tors. theta energy: -16.498
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: 2
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -198.978695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.978695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.978695 (E_RNA)
where:
Base-Base interactions energy: -132.568
where: short stacking energy: -57.010
Base-Backbone interact. energy: -0.008
local terms energy: -66.402658
where:
bonds (distance) C4'-P energy: -13.015
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -11.540
flat angles P-C4'-P energy: -12.003
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: 4, replica: 4
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -171.667034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.667034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.667034 (E_RNA)
where:
Base-Base interactions energy: -100.385
where: short stacking energy: -59.089
Base-Backbone interact. energy: -0.059
local terms energy: -71.223110
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -17.765
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -13.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -156.280397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.280397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.280397 (E_RNA)
where:
Base-Base interactions energy: -87.934
where: short stacking energy: -43.610
Base-Backbone interact. energy: 0.041
local terms energy: -68.387942
where:
bonds (distance) C4'-P energy: -17.550
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -13.671
flat angles P-C4'-P energy: -6.322
tors. eta vs tors. theta energy: -12.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -109.583634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.583634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.583634 (E_RNA)
where:
Base-Base interactions energy: -55.165
where: short stacking energy: -47.969
Base-Backbone interact. energy: -0.040
local terms energy: -54.378670
where:
bonds (distance) C4'-P energy: -10.712
bonds (distance) P-C4' energy: -8.387
flat angles C4'-P-C4' energy: -11.924
flat angles P-C4'-P energy: -7.052
tors. eta vs tors. theta energy: -16.304
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: 402
Temperature: 1.200000
Total energy: -105.162044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.162044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.162044 (E_RNA)
where:
Base-Base interactions energy: -44.409
where: short stacking energy: -38.939
Base-Backbone interact. energy: -0.113
local terms energy: -60.639811
where:
bonds (distance) C4'-P energy: -17.016
bonds (distance) P-C4' energy: -15.671
flat angles C4'-P-C4' energy: -10.761
flat angles P-C4'-P energy: -9.329
tors. eta vs tors. theta energy: -7.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -84.155266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.155266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.155266 (E_RNA)
where:
Base-Base interactions energy: -33.446
where: short stacking energy: -29.760
Base-Backbone interact. energy: -0.075
local terms energy: -50.634657
where:
bonds (distance) C4'-P energy: -11.355
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -8.974
flat angles P-C4'-P energy: -7.748
tors. eta vs tors. theta energy: -6.197
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: 9
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -87.140720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.140720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.140720 (E_RNA)
where:
Base-Base interactions energy: -34.960
where: short stacking energy: -19.808
Base-Backbone interact. energy: -0.741
local terms energy: -51.439609
where:
bonds (distance) C4'-P energy: -13.811
bonds (distance) P-C4' energy: -13.901
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -9.762
tors. eta vs tors. theta energy: 1.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -85.359778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.359778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.359778 (E_RNA)
where:
Base-Base interactions energy: -42.990
where: short stacking energy: -30.553
Base-Backbone interact. energy: -0.128
local terms energy: -42.241016
where:
bonds (distance) C4'-P energy: -6.665
bonds (distance) P-C4' energy: -8.939
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -7.497
tors. eta vs tors. theta energy: -5.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -217.141431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.141431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.141431 (E_RNA)
where:
Base-Base interactions energy: -138.192
where: short stacking energy: -69.008
Base-Backbone interact. energy: -0.813
local terms energy: -78.135761
where:
bonds (distance) C4'-P energy: -14.940
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -16.199
flat angles P-C4'-P energy: -13.673
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: 2, replica: 2
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -206.857795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.857795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.857795 (E_RNA)
where:
Base-Base interactions energy: -129.425
where: short stacking energy: -77.561
Base-Backbone interact. energy: -0.095
local terms energy: -77.337556
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -17.514
flat angles P-C4'-P energy: -8.177
tors. eta vs tors. theta energy: -18.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -199.442742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.442742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.442742 (E_RNA)
where:
Base-Base interactions energy: -136.861
where: short stacking energy: -58.628
Base-Backbone interact. energy: 1.023
local terms energy: -63.605109
where:
bonds (distance) C4'-P energy: -12.783
bonds (distance) P-C4' energy: -13.111
flat angles C4'-P-C4' energy: -15.013
flat angles P-C4'-P energy: -12.972
tors. eta vs tors. theta energy: -9.725
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: 4
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -191.348534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.348534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.348534 (E_RNA)
where:
Base-Base interactions energy: -121.285
where: short stacking energy: -58.183
Base-Backbone interact. energy: -0.096
local terms energy: -69.967450
where:
bonds (distance) C4'-P energy: -10.671
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -15.575
flat angles P-C4'-P energy: -7.940
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: 5, replica: 5
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -136.900887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.900887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.900887 (E_RNA)
where:
Base-Base interactions energy: -78.233
where: short stacking energy: -38.115
Base-Backbone interact. energy: -0.583
local terms energy: -58.084925
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -16.634
flat angles C4'-P-C4' energy: -10.090
flat angles P-C4'-P energy: -8.112
tors. eta vs tors. theta energy: -8.355
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: 10
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -92.316870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.316870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.316870 (E_RNA)
where:
Base-Base interactions energy: -37.781
where: short stacking energy: -36.474
Base-Backbone interact. energy: 0.980
local terms energy: -55.515607
where:
bonds (distance) C4'-P energy: -14.381
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -11.954
flat angles P-C4'-P energy: -9.764
tors. eta vs tors. theta energy: -5.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -102.199718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.199718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.199718 (E_RNA)
where:
Base-Base interactions energy: -55.067
where: short stacking energy: -33.860
Base-Backbone interact. energy: 0.089
local terms energy: -47.221863
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -13.657
flat angles C4'-P-C4' energy: -10.164
flat angles P-C4'-P energy: -6.706
tors. eta vs tors. theta energy: -1.996
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: 8, replica: 9
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -92.242995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.242995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.242995 (E_RNA)
where:
Base-Base interactions energy: -44.944
where: short stacking energy: -29.309
Base-Backbone interact. energy: -0.568
local terms energy: -46.730312
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -11.329
flat angles P-C4'-P energy: -9.113
tors. eta vs tors. theta energy: 1.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -88.047668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.047668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.047668 (E_RNA)
where:
Base-Base interactions energy: -34.152
where: short stacking energy: -26.244
Base-Backbone interact. energy: -0.307
local terms energy: -53.588630
where:
bonds (distance) C4'-P energy: -14.028
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -14.674
flat angles P-C4'-P energy: -8.671
tors. eta vs tors. theta energy: -0.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -88.898085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.898085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.898085 (E_RNA)
where:
Base-Base interactions energy: -40.811
where: short stacking energy: -36.783
Base-Backbone interact. energy: -0.005
local terms energy: -48.082480
where:
bonds (distance) C4'-P energy: -10.473
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -13.476
flat angles P-C4'-P energy: -6.396
tors. eta vs tors. theta energy: -4.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -207.134175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.134175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.134175 (E_RNA)
where:
Base-Base interactions energy: -133.348
where: short stacking energy: -67.191
Base-Backbone interact. energy: -0.686
local terms energy: -73.099511
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -17.833
flat angles P-C4'-P energy: -11.011
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: 2, replica: 2
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -198.180034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.180034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.180034 (E_RNA)
where:
Base-Base interactions energy: -130.736
where: short stacking energy: -63.696
Base-Backbone interact. energy: -0.076
local terms energy: -67.368552
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -11.468
flat angles C4'-P-C4' energy: -16.897
flat angles P-C4'-P energy: -8.053
tors. eta vs tors. theta energy: -15.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -198.506208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.506208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.506208 (E_RNA)
where:
Base-Base interactions energy: -129.968
where: short stacking energy: -58.069
Base-Backbone interact. energy: -0.380
local terms energy: -68.157902
where:
bonds (distance) C4'-P energy: -17.355
bonds (distance) P-C4' energy: -11.599
flat angles C4'-P-C4' energy: -14.949
flat angles P-C4'-P energy: -4.460
tors. eta vs tors. theta energy: -19.795
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: 8
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -185.538902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.538902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.538902 (E_RNA)
where:
Base-Base interactions energy: -119.980
where: short stacking energy: -56.289
Base-Backbone interact. energy: -0.166
local terms energy: -65.392673
where:
bonds (distance) C4'-P energy: -11.267
bonds (distance) P-C4' energy: -15.359
flat angles C4'-P-C4' energy: -14.585
flat angles P-C4'-P energy: -11.246
tors. eta vs tors. theta energy: -12.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -154.869892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.869892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.869892 (E_RNA)
where:
Base-Base interactions energy: -91.496
where: short stacking energy: -44.777
Base-Backbone interact. energy: -0.109
local terms energy: -63.264904
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -14.926
flat angles C4'-P-C4' energy: -8.392
flat angles P-C4'-P energy: -12.329
tors. eta vs tors. theta energy: -13.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -95.194896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.194896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.194896 (E_RNA)
where:
Base-Base interactions energy: -47.298
where: short stacking energy: -42.656
Base-Backbone interact. energy: -0.100
local terms energy: -47.796996
where:
bonds (distance) C4'-P energy: -11.225
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -14.176
flat angles P-C4'-P energy: -3.543
tors. eta vs tors. theta energy: -4.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -120.638837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.638837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.638837 (E_RNA)
where:
Base-Base interactions energy: -62.789
where: short stacking energy: -42.916
Base-Backbone interact. energy: -0.100
local terms energy: -57.749903
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -10.864
flat angles P-C4'-P energy: -8.908
tors. eta vs tors. theta energy: -8.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -80.721935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.721935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.721935 (E_RNA)
where:
Base-Base interactions energy: -29.808
where: short stacking energy: -28.538
Base-Backbone interact. energy: -0.332
local terms energy: -50.581503
where:
bonds (distance) C4'-P energy: -15.598
bonds (distance) P-C4' energy: -16.481
flat angles C4'-P-C4' energy: -7.881
flat angles P-C4'-P energy: -10.051
tors. eta vs tors. theta energy: -0.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -79.318872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.318872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.318872 (E_RNA)
where:
Base-Base interactions energy: -33.186
where: short stacking energy: -31.104
Base-Backbone interact. energy: 0.785
local terms energy: -46.917492
where:
bonds (distance) C4'-P energy: -12.734
bonds (distance) P-C4' energy: -12.991
flat angles C4'-P-C4' energy: -11.914
flat angles P-C4'-P energy: -7.592
tors. eta vs tors. theta energy: -1.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -89.055553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.055553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.055553 (E_RNA)
where:
Base-Base interactions energy: -40.308
where: short stacking energy: -35.126
Base-Backbone interact. energy: -0.158
local terms energy: -48.589290
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -13.488
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -4.581
tors. eta vs tors. theta energy: -4.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -216.969946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.969946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.969946 (E_RNA)
where:
Base-Base interactions energy: -135.852
where: short stacking energy: -69.341
Base-Backbone interact. energy: -0.011
local terms energy: -81.107714
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -16.615
flat angles P-C4'-P energy: -12.308
tors. eta vs tors. theta energy: -24.491
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: 4
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -201.365513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.365513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.365513 (E_RNA)
where:
Base-Base interactions energy: -138.353
where: short stacking energy: -53.973
Base-Backbone interact. energy: -0.005
local terms energy: -63.008006
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -12.030
flat angles P-C4'-P energy: -6.890
tors. eta vs tors. theta energy: -14.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -193.282582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.282582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.282582 (E_RNA)
where:
Base-Base interactions energy: -125.943
where: short stacking energy: -54.070
Base-Backbone interact. energy: -0.201
local terms energy: -67.138503
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -17.702
flat angles C4'-P-C4' energy: -12.961
flat angles P-C4'-P energy: -12.156
tors. eta vs tors. theta energy: -9.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -166.230662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.230662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.230662 (E_RNA)
where:
Base-Base interactions energy: -96.314
where: short stacking energy: -60.592
Base-Backbone interact. energy: -0.052
local terms energy: -69.864408
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -17.763
flat angles C4'-P-C4' energy: -13.935
flat angles P-C4'-P energy: -9.120
tors. eta vs tors. theta energy: -14.556
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: 5
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -145.811343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.811343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.811343 (E_RNA)
where:
Base-Base interactions energy: -80.397
where: short stacking energy: -40.330
Base-Backbone interact. energy: -0.023
local terms energy: -65.391938
where:
bonds (distance) C4'-P energy: -12.304
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -13.608
flat angles P-C4'-P energy: -12.658
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: 6, replica: 1
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -127.113157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.113157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.113157 (E_RNA)
where:
Base-Base interactions energy: -70.717
where: short stacking energy: -37.368
Base-Backbone interact. energy: -0.179
local terms energy: -56.217302
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -12.791
flat angles C4'-P-C4' energy: -11.401
flat angles P-C4'-P energy: -8.884
tors. eta vs tors. theta energy: -6.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -101.433987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.433987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.433987 (E_RNA)
where:
Base-Base interactions energy: -45.447
where: short stacking energy: -38.456
Base-Backbone interact. energy: 2.193
local terms energy: -58.180026
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -12.522
flat angles P-C4'-P energy: -8.342
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: 8, replica: 7
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -86.912817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.912817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.912817 (E_RNA)
where:
Base-Base interactions energy: -31.124
where: short stacking energy: -31.124
Base-Backbone interact. energy: -0.054
local terms energy: -55.734585
where:
bonds (distance) C4'-P energy: -17.585
bonds (distance) P-C4' energy: -14.916
flat angles C4'-P-C4' energy: -11.517
flat angles P-C4'-P energy: -5.059
tors. eta vs tors. theta energy: -6.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -95.492455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.492455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.492455 (E_RNA)
where:
Base-Base interactions energy: -45.120
where: short stacking energy: -44.408
Base-Backbone interact. energy: 0.140
local terms energy: -50.511967
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -11.402
flat angles C4'-P-C4' energy: -12.740
flat angles P-C4'-P energy: -2.527
tors. eta vs tors. theta energy: -10.834
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: 6
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -79.878012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.878012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.878012 (E_RNA)
where:
Base-Base interactions energy: -26.671
where: short stacking energy: -26.671
Base-Backbone interact. energy: 0.811
local terms energy: -54.018644
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -11.285
flat angles C4'-P-C4' energy: -13.675
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -4.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -221.236755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.236755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.236755 (E_RNA)
where:
Base-Base interactions energy: -152.998
where: short stacking energy: -65.302
Base-Backbone interact. energy: -0.776
local terms energy: -67.463348
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -13.988
flat angles P-C4'-P energy: -9.405
tors. eta vs tors. theta energy: -14.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -199.749450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.749450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.749450 (E_RNA)
where:
Base-Base interactions energy: -127.684
where: short stacking energy: -68.041
Base-Backbone interact. energy: -0.483
local terms energy: -71.582100
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -12.750
flat angles C4'-P-C4' energy: -11.764
flat angles P-C4'-P energy: -13.523
tors. eta vs tors. theta energy: -19.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -187.750672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.750672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.750672 (E_RNA)
where:
Base-Base interactions energy: -117.049
where: short stacking energy: -54.243
Base-Backbone interact. energy: -0.057
local terms energy: -70.645019
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -17.386
flat angles P-C4'-P energy: -12.131
tors. eta vs tors. theta energy: -8.980
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: 4, replica: 8
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -184.357026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.357026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.357026 (E_RNA)
where:
Base-Base interactions energy: -113.500
where: short stacking energy: -61.865
Base-Backbone interact. energy: -0.466
local terms energy: -70.390793
where:
bonds (distance) C4'-P energy: -14.884
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -7.211
tors. eta vs tors. theta energy: -17.069
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: 1
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -177.582480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.582480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.582480 (E_RNA)
where:
Base-Base interactions energy: -107.299
where: short stacking energy: -56.122
Base-Backbone interact. energy: -0.321
local terms energy: -69.962113
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -18.133
flat angles C4'-P-C4' energy: -12.044
flat angles P-C4'-P energy: -11.759
tors. eta vs tors. theta energy: -14.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -115.725125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.725125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.725125 (E_RNA)
where:
Base-Base interactions energy: -64.264
where: short stacking energy: -35.968
Base-Backbone interact. energy: -0.065
local terms energy: -51.396153
where:
bonds (distance) C4'-P energy: -10.253
bonds (distance) P-C4' energy: -17.163
flat angles C4'-P-C4' energy: -8.962
flat angles P-C4'-P energy: -7.967
tors. eta vs tors. theta energy: -7.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -93.250749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.250749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.250749 (E_RNA)
where:
Base-Base interactions energy: -36.879
where: short stacking energy: -36.879
Base-Backbone interact. energy: -0.036
local terms energy: -56.335115
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -11.995
flat angles C4'-P-C4' energy: -12.636
flat angles P-C4'-P energy: -10.534
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: 8, replica: 10
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -83.854085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.854085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.854085 (E_RNA)
where:
Base-Base interactions energy: -30.684
where: short stacking energy: -30.684
Base-Backbone interact. energy: -0.022
local terms energy: -53.147636
where:
bonds (distance) C4'-P energy: -10.348
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -16.107
flat angles P-C4'-P energy: -7.423
tors. eta vs tors. theta energy: -2.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -77.815586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.815586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.815586 (E_RNA)
where:
Base-Base interactions energy: -22.700
where: short stacking energy: -22.700
Base-Backbone interact. energy: 0.447
local terms energy: -55.562573
where:
bonds (distance) C4'-P energy: -16.720
bonds (distance) P-C4' energy: -13.651
flat angles C4'-P-C4' energy: -9.131
flat angles P-C4'-P energy: -12.042
tors. eta vs tors. theta energy: -4.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -88.824259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.824259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.824259 (E_RNA)
where:
Base-Base interactions energy: -44.669
where: short stacking energy: -26.489
Base-Backbone interact. energy: -0.407
local terms energy: -43.748124
where:
bonds (distance) C4'-P energy: -8.795
bonds (distance) P-C4' energy: -15.655
flat angles C4'-P-C4' energy: -10.980
flat angles P-C4'-P energy: -8.502
tors. eta vs tors. theta energy: 0.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -220.520469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.520469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.520469 (E_RNA)
where:
Base-Base interactions energy: -150.482
where: short stacking energy: -56.913
Base-Backbone interact. energy: -0.302
local terms energy: -69.736577
where:
bonds (distance) C4'-P energy: -10.228
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -15.083
flat angles P-C4'-P energy: -10.554
tors. eta vs tors. theta energy: -18.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -203.852506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.852506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.852506 (E_RNA)
where:
Base-Base interactions energy: -136.678
where: short stacking energy: -63.533
Base-Backbone interact. energy: -0.100
local terms energy: -67.074616
where:
bonds (distance) C4'-P energy: -11.950
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -13.828
flat angles P-C4'-P energy: -9.685
tors. eta vs tors. theta energy: -16.418
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: 3, replica: 2
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -192.084832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.084832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.084832 (E_RNA)
where:
Base-Base interactions energy: -127.379
where: short stacking energy: -54.179
Base-Backbone interact. energy: -0.029
local terms energy: -64.677345
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -12.458
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -10.316
tors. eta vs tors. theta energy: -11.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -164.391053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.391053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.391053 (E_RNA)
where:
Base-Base interactions energy: -107.149
where: short stacking energy: -47.103
Base-Backbone interact. energy: -0.406
local terms energy: -56.836331
where:
bonds (distance) C4'-P energy: -7.602
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -13.091
flat angles P-C4'-P energy: -5.846
tors. eta vs tors. theta energy: -14.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -160.605736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.605736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.605736 (E_RNA)
where:
Base-Base interactions energy: -98.403
where: short stacking energy: -43.655
Base-Backbone interact. energy: -0.115
local terms energy: -62.088092
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -13.518
flat angles P-C4'-P energy: -8.298
tors. eta vs tors. theta energy: -10.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -104.200413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.200413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.200413 (E_RNA)
where:
Base-Base interactions energy: -39.002
where: short stacking energy: -39.002
Base-Backbone interact. energy: -0.007
local terms energy: -65.191812
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -11.930
flat angles C4'-P-C4' energy: -14.404
flat angles P-C4'-P energy: -11.126
tors. eta vs tors. theta energy: -12.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -98.706637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.706637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.706637 (E_RNA)
where:
Base-Base interactions energy: -40.277
where: short stacking energy: -40.277
Base-Backbone interact. energy: -0.155
local terms energy: -58.274928
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -16.298
flat angles C4'-P-C4' energy: -11.752
flat angles P-C4'-P energy: -5.763
tors. eta vs tors. theta energy: -10.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -88.187248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.187248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.187248 (E_RNA)
where:
Base-Base interactions energy: -26.584
where: short stacking energy: -13.647
Base-Backbone interact. energy: -2.661
local terms energy: -58.942473
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -15.758
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -2.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -80.597500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.597500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.597500 (E_RNA)
where:
Base-Base interactions energy: -29.072
where: short stacking energy: -25.927
Base-Backbone interact. energy: -0.187
local terms energy: -51.338342
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -12.906
flat angles C4'-P-C4' energy: -10.433
flat angles P-C4'-P energy: -11.610
tors. eta vs tors. theta energy: -2.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -78.372387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.372387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.372387 (E_RNA)
where:
Base-Base interactions energy: -29.843
where: short stacking energy: -27.936
Base-Backbone interact. energy: -0.243
local terms energy: -48.286418
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -10.970
flat angles P-C4'-P energy: -7.528
tors. eta vs tors. theta energy: -2.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -229.297169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.297169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.297169 (E_RNA)
where:
Base-Base interactions energy: -152.846
where: short stacking energy: -54.562
Base-Backbone interact. energy: -0.135
local terms energy: -76.315986
where:
bonds (distance) C4'-P energy: -15.631
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -14.822
flat angles P-C4'-P energy: -10.956
tors. eta vs tors. theta energy: -18.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -192.112700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.112700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.112700 (E_RNA)
where:
Base-Base interactions energy: -127.028
where: short stacking energy: -51.195
Base-Backbone interact. energy: -0.135
local terms energy: -64.949860
where:
bonds (distance) C4'-P energy: -11.804
bonds (distance) P-C4' energy: -14.459
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -7.323
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: 3, replica: 2
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -199.628189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.628189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.628189 (E_RNA)
where:
Base-Base interactions energy: -135.701
where: short stacking energy: -65.617
Base-Backbone interact. energy: -0.049
local terms energy: -63.878712
where:
bonds (distance) C4'-P energy: -6.187
bonds (distance) P-C4' energy: -13.223
flat angles C4'-P-C4' energy: -16.481
flat angles P-C4'-P energy: -11.814
tors. eta vs tors. theta energy: -16.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -194.738249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.738249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.738249 (E_RNA)
where:
Base-Base interactions energy: -122.558
where: short stacking energy: -58.192
Base-Backbone interact. energy: -0.031
local terms energy: -72.149532
where:
bonds (distance) C4'-P energy: -12.306
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -14.747
flat angles P-C4'-P energy: -11.708
tors. eta vs tors. theta energy: -17.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -164.039411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.039411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.039411 (E_RNA)
where:
Base-Base interactions energy: -103.333
where: short stacking energy: -41.473
Base-Backbone interact. energy: -0.354
local terms energy: -60.352622
where:
bonds (distance) C4'-P energy: -13.051
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -13.560
flat angles P-C4'-P energy: -6.162
tors. eta vs tors. theta energy: -10.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -97.703945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.703945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.703945 (E_RNA)
where:
Base-Base interactions energy: -36.244
where: short stacking energy: -36.244
Base-Backbone interact. energy: -0.113
local terms energy: -61.346860
where:
bonds (distance) C4'-P energy: -13.399
bonds (distance) P-C4' energy: -16.641
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -10.564
tors. eta vs tors. theta energy: -6.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -99.000770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.000770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.000770 (E_RNA)
where:
Base-Base interactions energy: -49.295
where: short stacking energy: -42.134
Base-Backbone interact. energy: -0.036
local terms energy: -49.670513
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -15.170
flat angles P-C4'-P energy: 1.203
tors. eta vs tors. theta energy: -7.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -94.023542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.023542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.023542 (E_RNA)
where:
Base-Base interactions energy: -35.783
where: short stacking energy: -31.385
Base-Backbone interact. energy: -0.346
local terms energy: -57.894554
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -15.062
flat angles C4'-P-C4' energy: -14.081
flat angles P-C4'-P energy: -8.456
tors. eta vs tors. theta energy: -4.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -101.423046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.423046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.423046 (E_RNA)
where:
Base-Base interactions energy: -43.657
where: short stacking energy: -28.326
Base-Backbone interact. energy: -0.049
local terms energy: -57.716953
where:
bonds (distance) C4'-P energy: -10.499
bonds (distance) P-C4' energy: -16.418
flat angles C4'-P-C4' energy: -13.319
flat angles P-C4'-P energy: -11.983
tors. eta vs tors. theta energy: -5.497
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: 10, replica: 10
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -74.820436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.820436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.820436 (E_RNA)
where:
Base-Base interactions energy: -30.613
where: short stacking energy: -17.612
Base-Backbone interact. energy: 0.557
local terms energy: -44.764552
where:
bonds (distance) C4'-P energy: -11.485
bonds (distance) P-C4' energy: -16.296
flat angles C4'-P-C4' energy: -10.714
flat angles P-C4'-P energy: -4.024
tors. eta vs tors. theta energy: -2.245
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: 3
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -223.555979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.555979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.555979 (E_RNA)
where:
Base-Base interactions energy: -146.582
where: short stacking energy: -56.577
Base-Backbone interact. energy: 0.115
local terms energy: -77.088774
where:
bonds (distance) C4'-P energy: -13.958
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -16.132
flat angles P-C4'-P energy: -11.519
tors. eta vs tors. theta energy: -18.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -208.214608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.214608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.214608 (E_RNA)
where:
Base-Base interactions energy: -140.668
where: short stacking energy: -61.174
Base-Backbone interact. energy: -0.011
local terms energy: -67.535286
where:
bonds (distance) C4'-P energy: -12.066
bonds (distance) P-C4' energy: -14.751
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: -15.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -189.095007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.095007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.095007 (E_RNA)
where:
Base-Base interactions energy: -124.639
where: short stacking energy: -55.177
Base-Backbone interact. energy: -0.292
local terms energy: -64.163766
where:
bonds (distance) C4'-P energy: -12.176
bonds (distance) P-C4' energy: -11.384
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -13.018
tors. eta vs tors. theta energy: -14.209
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: 8
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -175.435489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.435489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.435489 (E_RNA)
where:
Base-Base interactions energy: -105.150
where: short stacking energy: -55.076
Base-Backbone interact. energy: 0.625
local terms energy: -70.910344
where:
bonds (distance) C4'-P energy: -17.063
bonds (distance) P-C4' energy: -12.926
flat angles C4'-P-C4' energy: -17.905
flat angles P-C4'-P energy: -11.063
tors. eta vs tors. theta energy: -11.953
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: 5, replica: 1
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -207.444671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.444671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.444671 (E_RNA)
where:
Base-Base interactions energy: -127.360
where: short stacking energy: -71.321
Base-Backbone interact. energy: -0.100
local terms energy: -79.984263
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -14.565
flat angles P-C4'-P energy: -12.370
tors. eta vs tors. theta energy: -21.620
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: 6
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -103.712282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.712282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.712282 (E_RNA)
where:
Base-Base interactions energy: -54.467
where: short stacking energy: -35.120
Base-Backbone interact. energy: -0.606
local terms energy: -48.639225
where:
bonds (distance) C4'-P energy: -10.265
bonds (distance) P-C4' energy: -9.661
flat angles C4'-P-C4' energy: -15.794
flat angles P-C4'-P energy: -8.263
tors. eta vs tors. theta energy: -4.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -96.111034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.111034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.111034 (E_RNA)
where:
Base-Base interactions energy: -44.048
where: short stacking energy: -36.277
Base-Backbone interact. energy: -0.115
local terms energy: -51.948619
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -14.891
flat angles C4'-P-C4' energy: -9.417
flat angles P-C4'-P energy: -9.800
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: 8, replica: 5
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -92.176494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.176494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.176494 (E_RNA)
where:
Base-Base interactions energy: -37.596
where: short stacking energy: -37.596
Base-Backbone interact. energy: -0.092
local terms energy: -54.488536
where:
bonds (distance) C4'-P energy: -13.559
bonds (distance) P-C4' energy: -14.118
flat angles C4'-P-C4' energy: -8.227
flat angles P-C4'-P energy: -10.755
tors. eta vs tors. theta energy: -7.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -81.500665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.500665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.500665 (E_RNA)
where:
Base-Base interactions energy: -34.908
where: short stacking energy: -34.908
Base-Backbone interact. energy: -0.050
local terms energy: -46.542908
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -13.008
flat angles C4'-P-C4' energy: -9.320
flat angles P-C4'-P energy: -8.461
tors. eta vs tors. theta energy: -3.822
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: 409
Temperature: 1.350000
Total energy: -70.929195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.929195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.929195 (E_RNA)
where:
Base-Base interactions energy: -23.977
where: short stacking energy: -19.481
Base-Backbone interact. energy: -0.175
local terms energy: -46.777756
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -13.760
flat angles C4'-P-C4' energy: -8.600
flat angles P-C4'-P energy: -11.318
tors. eta vs tors. theta energy: 3.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -222.020867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.020867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.020867 (E_RNA)
where:
Base-Base interactions energy: -149.459
where: short stacking energy: -53.291
Base-Backbone interact. energy: -0.048
local terms energy: -72.514571
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -14.892
flat angles P-C4'-P energy: -10.126
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: 2, replica: 2
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -208.459419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.459419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.459419 (E_RNA)
where:
Base-Base interactions energy: -136.090
where: short stacking energy: -64.148
Base-Backbone interact. energy: -0.001
local terms energy: -72.368438
where:
bonds (distance) C4'-P energy: -12.068
bonds (distance) P-C4' energy: -15.732
flat angles C4'-P-C4' energy: -16.587
flat angles P-C4'-P energy: -8.480
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: 3, replica: 8
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -185.358896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.358896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.358896 (E_RNA)
where:
Base-Base interactions energy: -119.589
where: short stacking energy: -58.682
Base-Backbone interact. energy: -0.948
local terms energy: -64.821236
where:
bonds (distance) C4'-P energy: -15.874
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -10.071
tors. eta vs tors. theta energy: -10.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -194.146532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.146532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.146532 (E_RNA)
where:
Base-Base interactions energy: -121.986
where: short stacking energy: -44.354
Base-Backbone interact. energy: -0.148
local terms energy: -72.012052
where:
bonds (distance) C4'-P energy: -16.794
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -14.692
flat angles P-C4'-P energy: -11.595
tors. eta vs tors. theta energy: -12.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -195.320790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.320790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.320790 (E_RNA)
where:
Base-Base interactions energy: -124.719
where: short stacking energy: -60.864
Base-Backbone interact. energy: -0.019
local terms energy: -70.582305
where:
bonds (distance) C4'-P energy: -11.263
bonds (distance) P-C4' energy: -14.461
flat angles C4'-P-C4' energy: -12.250
flat angles P-C4'-P energy: -12.754
tors. eta vs tors. theta energy: -19.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -114.980996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.980996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.980996 (E_RNA)
where:
Base-Base interactions energy: -59.007
where: short stacking energy: -42.147
Base-Backbone interact. energy: -1.422
local terms energy: -54.551819
where:
bonds (distance) C4'-P energy: -12.630
bonds (distance) P-C4' energy: -12.385
flat angles C4'-P-C4' energy: -12.975
flat angles P-C4'-P energy: -4.328
tors. eta vs tors. theta energy: -12.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -97.842527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.842527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.842527 (E_RNA)
where:
Base-Base interactions energy: -38.280
where: short stacking energy: -34.563
Base-Backbone interact. energy: -1.890
local terms energy: -57.672681
where:
bonds (distance) C4'-P energy: -12.547
bonds (distance) P-C4' energy: -11.247
flat angles C4'-P-C4' energy: -13.449
flat angles P-C4'-P energy: -12.324
tors. eta vs tors. theta energy: -8.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -109.877303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.877303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.877303 (E_RNA)
where:
Base-Base interactions energy: -66.500
where: short stacking energy: -41.865
Base-Backbone interact. energy: 3.035
local terms energy: -46.412450
where:
bonds (distance) C4'-P energy: -11.068
bonds (distance) P-C4' energy: -12.092
flat angles C4'-P-C4' energy: -12.799
flat angles P-C4'-P energy: -6.104
tors. eta vs tors. theta energy: -4.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -106.702253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.702253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.702253 (E_RNA)
where:
Base-Base interactions energy: -47.584
where: short stacking energy: -34.501
Base-Backbone interact. energy: -0.002
local terms energy: -59.116797
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -9.204
flat angles P-C4'-P energy: -9.358
tors. eta vs tors. theta energy: -11.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -82.038246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.038246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.038246 (E_RNA)
where:
Base-Base interactions energy: -26.633
where: short stacking energy: -26.211
Base-Backbone interact. energy: -1.079
local terms energy: -54.326095
where:
bonds (distance) C4'-P energy: -13.228
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -12.674
flat angles P-C4'-P energy: -8.517
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: 1, replica: 3
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -216.117871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.117871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.117871 (E_RNA)
where:
Base-Base interactions energy: -140.995
where: short stacking energy: -70.331
Base-Backbone interact. energy: -0.033
local terms energy: -75.089439
where:
bonds (distance) C4'-P energy: -12.613
bonds (distance) P-C4' energy: -17.664
flat angles C4'-P-C4' energy: -15.437
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: -19.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -216.585446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.585446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.585446 (E_RNA)
where:
Base-Base interactions energy: -139.328
where: short stacking energy: -55.410
Base-Backbone interact. energy: -0.092
local terms energy: -77.165606
where:
bonds (distance) C4'-P energy: -16.563
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -16.313
flat angles P-C4'-P energy: -10.660
tors. eta vs tors. theta energy: -16.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -169.109678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.109678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.109678 (E_RNA)
where:
Base-Base interactions energy: -104.028
where: short stacking energy: -59.756
Base-Backbone interact. energy: -2.314
local terms energy: -62.768294
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -10.580
flat angles C4'-P-C4' energy: -12.447
flat angles P-C4'-P energy: -11.169
tors. eta vs tors. theta energy: -11.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -196.182411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.182411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.182411 (E_RNA)
where:
Base-Base interactions energy: -128.448
where: short stacking energy: -59.391
Base-Backbone interact. energy: -0.006
local terms energy: -67.728535
where:
bonds (distance) C4'-P energy: -12.112
bonds (distance) P-C4' energy: -17.083
flat angles C4'-P-C4' energy: -14.003
flat angles P-C4'-P energy: -6.858
tors. eta vs tors. theta energy: -17.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -204.308605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.308605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.308605 (E_RNA)
where:
Base-Base interactions energy: -126.086
where: short stacking energy: -62.534
Base-Backbone interact. energy: -0.114
local terms energy: -78.109042
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -15.214
flat angles P-C4'-P energy: -13.414
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: 6, replica: 5
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -111.651853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.651853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.651853 (E_RNA)
where:
Base-Base interactions energy: -51.243
where: short stacking energy: -34.748
Base-Backbone interact. energy: 0.613
local terms energy: -61.022327
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -14.181
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -6.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -88.281390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.281390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.281390 (E_RNA)
where:
Base-Base interactions energy: -33.972
where: short stacking energy: -28.655
Base-Backbone interact. energy: -0.205
local terms energy: -54.104589
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -15.257
flat angles P-C4'-P energy: -3.265
tors. eta vs tors. theta energy: -8.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -98.442298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.442298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.442298 (E_RNA)
where:
Base-Base interactions energy: -56.603
where: short stacking energy: -27.542
Base-Backbone interact. energy: -0.301
local terms energy: -41.538244
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -13.819
flat angles C4'-P-C4' energy: -10.883
flat angles P-C4'-P energy: -1.283
tors. eta vs tors. theta energy: 0.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -82.196446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.196446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.196446 (E_RNA)
where:
Base-Base interactions energy: -30.206
where: short stacking energy: -25.532
Base-Backbone interact. energy: -0.112
local terms energy: -51.877937
where:
bonds (distance) C4'-P energy: -8.389
bonds (distance) P-C4' energy: -13.971
flat angles C4'-P-C4' energy: -15.857
flat angles P-C4'-P energy: -8.347
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: 9
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -76.392982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.392982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.392982 (E_RNA)
where:
Base-Base interactions energy: -33.448
where: short stacking energy: -30.640
Base-Backbone interact. energy: -0.144
local terms energy: -42.801558
where:
bonds (distance) C4'-P energy: -8.481
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -5.446
flat angles P-C4'-P energy: -9.081
tors. eta vs tors. theta energy: -3.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -221.034436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.034436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.034436 (E_RNA)
where:
Base-Base interactions energy: -143.991
where: short stacking energy: -66.858
Base-Backbone interact. energy: -1.078
local terms energy: -75.965337
where:
bonds (distance) C4'-P energy: -10.153
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -17.489
flat angles P-C4'-P energy: -12.939
tors. eta vs tors. theta energy: -19.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -184.571015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.571015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.571015 (E_RNA)
where:
Base-Base interactions energy: -112.986
where: short stacking energy: -51.570
Base-Backbone interact. energy: -2.037
local terms energy: -69.547804
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -14.305
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -11.879
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: 3, replica: 8
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -177.711396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.711396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.711396 (E_RNA)
where:
Base-Base interactions energy: -111.229
where: short stacking energy: -57.424
Base-Backbone interact. energy: -0.015
local terms energy: -66.467241
where:
bonds (distance) C4'-P energy: -17.224
bonds (distance) P-C4' energy: -12.012
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -9.104
tors. eta vs tors. theta energy: -12.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -183.501863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.501863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.501863 (E_RNA)
where:
Base-Base interactions energy: -114.751
where: short stacking energy: -50.448
Base-Backbone interact. energy: -0.006
local terms energy: -68.745628
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -14.624
flat angles C4'-P-C4' energy: -15.192
flat angles P-C4'-P energy: -8.906
tors. eta vs tors. theta energy: -14.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -203.220183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.220183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.220183 (E_RNA)
where:
Base-Base interactions energy: -128.829
where: short stacking energy: -62.729
Base-Backbone interact. energy: -0.655
local terms energy: -73.736475
where:
bonds (distance) C4'-P energy: -10.485
bonds (distance) P-C4' energy: -12.809
flat angles C4'-P-C4' energy: -16.548
flat angles P-C4'-P energy: -13.534
tors. eta vs tors. theta energy: -20.360
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: 5
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -103.817468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.817468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.817468 (E_RNA)
where:
Base-Base interactions energy: -46.780
where: short stacking energy: -41.373
Base-Backbone interact. energy: -0.069
local terms energy: -56.967970
where:
bonds (distance) C4'-P energy: -9.590
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -12.371
flat angles P-C4'-P energy: -7.561
tors. eta vs tors. theta energy: -12.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -88.292067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.292067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.292067 (E_RNA)
where:
Base-Base interactions energy: -40.746
where: short stacking energy: -32.387
Base-Backbone interact. energy: -0.484
local terms energy: -47.061615
where:
bonds (distance) C4'-P energy: -8.999
bonds (distance) P-C4' energy: -10.662
flat angles C4'-P-C4' energy: -12.445
flat angles P-C4'-P energy: -9.226
tors. eta vs tors. theta energy: -5.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -98.011294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.011294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.011294 (E_RNA)
where:
Base-Base interactions energy: -46.847
where: short stacking energy: -33.923
Base-Backbone interact. energy: -0.271
local terms energy: -50.893433
where:
bonds (distance) C4'-P energy: -17.949
bonds (distance) P-C4' energy: -13.922
flat angles C4'-P-C4' energy: -9.553
flat angles P-C4'-P energy: -8.470
tors. eta vs tors. theta energy: -1.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -89.988364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.988364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.988364 (E_RNA)
where:
Base-Base interactions energy: -29.235
where: short stacking energy: -29.335
Base-Backbone interact. energy: -0.095
local terms energy: -60.657936
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -15.094
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: -6.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -91.609827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.609827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.609827 (E_RNA)
where:
Base-Base interactions energy: -33.845
where: short stacking energy: -33.828
Base-Backbone interact. energy: 0.221
local terms energy: -57.985975
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -17.456
flat angles C4'-P-C4' energy: -13.764
flat angles P-C4'-P energy: -6.194
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: 1, replica: 3
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -213.067537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.067537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.067537 (E_RNA)
where:
Base-Base interactions energy: -136.503
where: short stacking energy: -64.597
Base-Backbone interact. energy: -0.289
local terms energy: -76.276084
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -15.583
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -12.167
tors. eta vs tors. theta energy: -19.984
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: 413
Temperature: 0.950000
Total energy: -178.489790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.489790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.489790 (E_RNA)
where:
Base-Base interactions energy: -114.103
where: short stacking energy: -62.639
Base-Backbone interact. energy: -0.714
local terms energy: -63.672505
where:
bonds (distance) C4'-P energy: -12.734
bonds (distance) P-C4' energy: -12.938
flat angles C4'-P-C4' energy: -12.803
flat angles P-C4'-P energy: -10.498
tors. eta vs tors. theta energy: -14.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -181.938213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.938213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.938213 (E_RNA)
where:
Base-Base interactions energy: -114.059
where: short stacking energy: -48.646
Base-Backbone interact. energy: -1.216
local terms energy: -66.663072
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -12.511
flat angles P-C4'-P energy: -8.548
tors. eta vs tors. theta energy: -14.046
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: 1
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -189.702517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.702517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.702517 (E_RNA)
where:
Base-Base interactions energy: -120.926
where: short stacking energy: -65.339
Base-Backbone interact. energy: -0.064
local terms energy: -68.712339
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -13.203
flat angles C4'-P-C4' energy: -17.016
flat angles P-C4'-P energy: -8.653
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: 413
Temperature: 1.100000
Total energy: -186.841712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.841712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.841712 (E_RNA)
where:
Base-Base interactions energy: -118.204
where: short stacking energy: -59.229
Base-Backbone interact. energy: -0.115
local terms energy: -68.522926
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -12.183
flat angles P-C4'-P energy: -9.088
tors. eta vs tors. theta energy: -14.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -113.042152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.042152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.042152 (E_RNA)
where:
Base-Base interactions energy: -54.302
where: short stacking energy: -47.746
Base-Backbone interact. energy: -1.016
local terms energy: -57.723644
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -15.462
flat angles C4'-P-C4' energy: -11.813
flat angles P-C4'-P energy: -5.881
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: 7, replica: 6
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -114.613563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.613563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.613563 (E_RNA)
where:
Base-Base interactions energy: -64.786
where: short stacking energy: -34.097
Base-Backbone interact. energy: -0.212
local terms energy: -49.615846
where:
bonds (distance) C4'-P energy: -13.222
bonds (distance) P-C4' energy: -11.409
flat angles C4'-P-C4' energy: -11.262
flat angles P-C4'-P energy: -9.175
tors. eta vs tors. theta energy: -4.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -88.199264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.199264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.199264 (E_RNA)
where:
Base-Base interactions energy: -44.430
where: short stacking energy: -35.606
Base-Backbone interact. energy: -0.650
local terms energy: -43.119179
where:
bonds (distance) C4'-P energy: -12.425
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -14.779
flat angles P-C4'-P energy: -1.346
tors. eta vs tors. theta energy: -0.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -89.449044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.449044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.449044 (E_RNA)
where:
Base-Base interactions energy: -39.011
where: short stacking energy: -28.553
Base-Backbone interact. energy: -0.244
local terms energy: -50.193598
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -10.531
flat angles C4'-P-C4' energy: -10.776
flat angles P-C4'-P energy: -7.718
tors. eta vs tors. theta energy: -4.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -73.212033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.212033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.212033 (E_RNA)
where:
Base-Base interactions energy: -23.717
where: short stacking energy: -19.790
Base-Backbone interact. energy: -0.160
local terms energy: -49.335376
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -11.472
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: 1.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -217.786832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.786832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.786832 (E_RNA)
where:
Base-Base interactions energy: -135.234
where: short stacking energy: -73.512
Base-Backbone interact. energy: 0.818
local terms energy: -83.371124
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -16.998
flat angles P-C4'-P energy: -15.100
tors. eta vs tors. theta energy: -22.408
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: 8
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -189.443632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.443632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.443632 (E_RNA)
where:
Base-Base interactions energy: -122.170
where: short stacking energy: -60.233
Base-Backbone interact. energy: -0.393
local terms energy: -66.880720
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -10.592
flat angles C4'-P-C4' energy: -15.669
flat angles P-C4'-P energy: -10.415
tors. eta vs tors. theta energy: -15.166
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: 1
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -181.936389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.936389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.936389 (E_RNA)
where:
Base-Base interactions energy: -108.576
where: short stacking energy: -54.760
Base-Backbone interact. energy: -0.340
local terms energy: -73.020436
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -16.413
flat angles P-C4'-P energy: -9.922
tors. eta vs tors. theta energy: -13.520
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: 2
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -172.020963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.020963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.020963 (E_RNA)
where:
Base-Base interactions energy: -110.060
where: short stacking energy: -43.702
Base-Backbone interact. energy: -0.548
local terms energy: -61.412855
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -7.963
tors. eta vs tors. theta energy: -9.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -173.081681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.081681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.081681 (E_RNA)
where:
Base-Base interactions energy: -109.113
where: short stacking energy: -45.781
Base-Backbone interact. energy: -0.322
local terms energy: -63.646260
where:
bonds (distance) C4'-P energy: -15.936
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -13.208
flat angles P-C4'-P energy: -11.640
tors. eta vs tors. theta energy: -9.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -128.689573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.689573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.689573 (E_RNA)
where:
Base-Base interactions energy: -71.707
where: short stacking energy: -31.421
Base-Backbone interact. energy: -0.017
local terms energy: -56.965049
where:
bonds (distance) C4'-P energy: -12.090
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -10.120
flat angles P-C4'-P energy: -11.581
tors. eta vs tors. theta energy: -7.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -92.286128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.286128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.286128 (E_RNA)
where:
Base-Base interactions energy: -38.181
where: short stacking energy: -28.597
Base-Backbone interact. energy: -0.346
local terms energy: -53.758932
where:
bonds (distance) C4'-P energy: -13.766
bonds (distance) P-C4' energy: -11.411
flat angles C4'-P-C4' energy: -13.893
flat angles P-C4'-P energy: -7.055
tors. eta vs tors. theta energy: -7.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -93.359220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.359220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.359220 (E_RNA)
where:
Base-Base interactions energy: -45.457
where: short stacking energy: -29.782
Base-Backbone interact. energy: -1.328
local terms energy: -46.574000
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -8.735
flat angles P-C4'-P energy: -3.581
tors. eta vs tors. theta energy: -5.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -94.938752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.938752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.938752 (E_RNA)
where:
Base-Base interactions energy: -40.862
where: short stacking energy: -21.026
Base-Backbone interact. energy: -0.213
local terms energy: -53.863415
where:
bonds (distance) C4'-P energy: -16.296
bonds (distance) P-C4' energy: -7.536
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -8.530
tors. eta vs tors. theta energy: -7.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -88.593048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.593048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.593048 (E_RNA)
where:
Base-Base interactions energy: -33.512
where: short stacking energy: -31.262
Base-Backbone interact. energy: -0.328
local terms energy: -54.753283
where:
bonds (distance) C4'-P energy: -13.152
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -12.555
flat angles P-C4'-P energy: -9.465
tors. eta vs tors. theta energy: -2.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -212.413417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.413417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.413417 (E_RNA)
where:
Base-Base interactions energy: -136.166
where: short stacking energy: -57.802
Base-Backbone interact. energy: -0.736
local terms energy: -75.510756
where:
bonds (distance) C4'-P energy: -15.313
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -14.487
flat angles P-C4'-P energy: -13.201
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: 2, replica: 8
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -184.576246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.576246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.576246 (E_RNA)
where:
Base-Base interactions energy: -116.898
where: short stacking energy: -52.532
Base-Backbone interact. energy: -0.050
local terms energy: -67.627423
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -12.922
flat angles C4'-P-C4' energy: -11.525
flat angles P-C4'-P energy: -14.526
tors. eta vs tors. theta energy: -13.103
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: 1
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -181.748886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.748886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.748886 (E_RNA)
where:
Base-Base interactions energy: -113.074
where: short stacking energy: -61.890
Base-Backbone interact. energy: -0.323
local terms energy: -68.352088
where:
bonds (distance) C4'-P energy: -11.926
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -11.518
flat angles P-C4'-P energy: -8.259
tors. eta vs tors. theta energy: -21.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -178.573231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.573231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.573231 (E_RNA)
where:
Base-Base interactions energy: -106.503
where: short stacking energy: -61.020
Base-Backbone interact. energy: -0.423
local terms energy: -71.647453
where:
bonds (distance) C4'-P energy: -9.619
bonds (distance) P-C4' energy: -14.439
flat angles C4'-P-C4' energy: -14.832
flat angles P-C4'-P energy: -12.434
tors. eta vs tors. theta energy: -20.324
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: 4
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -168.085494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.085494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.085494 (E_RNA)
where:
Base-Base interactions energy: -107.937
where: short stacking energy: -49.192
Base-Backbone interact. energy: 0.667
local terms energy: -60.815744
where:
bonds (distance) C4'-P energy: -12.244
bonds (distance) P-C4' energy: -11.796
flat angles C4'-P-C4' energy: -13.046
flat angles P-C4'-P energy: -11.419
tors. eta vs tors. theta energy: -12.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -110.975615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.975615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.975615 (E_RNA)
where:
Base-Base interactions energy: -58.945
where: short stacking energy: -33.379
Base-Backbone interact. energy: -0.080
local terms energy: -51.950496
where:
bonds (distance) C4'-P energy: -11.266
bonds (distance) P-C4' energy: -13.634
flat angles C4'-P-C4' energy: -11.036
flat angles P-C4'-P energy: -7.239
tors. eta vs tors. theta energy: -8.776
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: 7, replica: 9
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -84.170464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.170464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.170464 (E_RNA)
where:
Base-Base interactions energy: -42.153
where: short stacking energy: -23.408
Base-Backbone interact. energy: -0.630
local terms energy: -41.387651
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -12.832
flat angles C4'-P-C4' energy: -11.354
flat angles P-C4'-P energy: -7.586
tors. eta vs tors. theta energy: 4.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -97.321350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.321350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.321350 (E_RNA)
where:
Base-Base interactions energy: -39.067
where: short stacking energy: -33.080
Base-Backbone interact. energy: -0.106
local terms energy: -58.149044
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -14.925
flat angles C4'-P-C4' energy: -13.082
flat angles P-C4'-P energy: -10.548
tors. eta vs tors. theta energy: -4.800
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: 6
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -90.093646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.093646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.093646 (E_RNA)
where:
Base-Base interactions energy: -37.288
where: short stacking energy: -36.825
Base-Backbone interact. energy: 0.602
local terms energy: -53.407679
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -13.072
flat angles C4'-P-C4' energy: -14.480
flat angles P-C4'-P energy: -5.444
tors. eta vs tors. theta energy: -7.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -79.327932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.327932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.327932 (E_RNA)
where:
Base-Base interactions energy: -34.853
where: short stacking energy: -22.477
Base-Backbone interact. energy: 1.090
local terms energy: -45.564457
where:
bonds (distance) C4'-P energy: -9.506
bonds (distance) P-C4' energy: -17.928
flat angles C4'-P-C4' energy: -13.086
flat angles P-C4'-P energy: -6.271
tors. eta vs tors. theta energy: 1.228
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: 3
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -216.360757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.360757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.360757 (E_RNA)
where:
Base-Base interactions energy: -144.136
where: short stacking energy: -66.936
Base-Backbone interact. energy: -0.198
local terms energy: -72.026457
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -12.593
flat angles P-C4'-P energy: -10.898
tors. eta vs tors. theta energy: -18.284
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: 2, replica: 8
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -184.480135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.480135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.480135 (E_RNA)
where:
Base-Base interactions energy: -121.735
where: short stacking energy: -62.171
Base-Backbone interact. energy: -0.022
local terms energy: -62.722979
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -5.274
tors. eta vs tors. theta energy: -14.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -168.346673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.346673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.346673 (E_RNA)
where:
Base-Base interactions energy: -105.853
where: short stacking energy: -46.205
Base-Backbone interact. energy: -0.062
local terms energy: -62.431547
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -11.603
flat angles P-C4'-P energy: -11.883
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: 4, replica: 1
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -197.083213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.083213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.083213 (E_RNA)
where:
Base-Base interactions energy: -130.283
where: short stacking energy: -57.682
Base-Backbone interact. energy: -0.046
local terms energy: -66.753682
where:
bonds (distance) C4'-P energy: -13.922
bonds (distance) P-C4' energy: -11.019
flat angles C4'-P-C4' energy: -14.371
flat angles P-C4'-P energy: -9.287
tors. eta vs tors. theta energy: -18.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -164.526298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.526298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.526298 (E_RNA)
where:
Base-Base interactions energy: -115.429
where: short stacking energy: -51.287
Base-Backbone interact. energy: -0.221
local terms energy: -48.875915
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -10.280
flat angles C4'-P-C4' energy: -13.073
flat angles P-C4'-P energy: -2.389
tors. eta vs tors. theta energy: -7.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -103.648757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.648757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.648757 (E_RNA)
where:
Base-Base interactions energy: -39.698
where: short stacking energy: -34.932
Base-Backbone interact. energy: -0.022
local terms energy: -63.929170
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -16.371
flat angles P-C4'-P energy: -11.537
tors. eta vs tors. theta energy: -8.376
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: 7
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -91.454885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.454885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.454885 (E_RNA)
where:
Base-Base interactions energy: -34.565
where: short stacking energy: -26.987
Base-Backbone interact. energy: -0.108
local terms energy: -56.781472
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -15.371
flat angles P-C4'-P energy: -10.880
tors. eta vs tors. theta energy: 0.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -92.948775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.948775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.948775 (E_RNA)
where:
Base-Base interactions energy: -40.381
where: short stacking energy: -31.212
Base-Backbone interact. energy: -1.257
local terms energy: -51.310810
where:
bonds (distance) C4'-P energy: -10.952
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -13.671
flat angles P-C4'-P energy: -10.235
tors. eta vs tors. theta energy: -1.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -72.055353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.055353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.055353 (E_RNA)
where:
Base-Base interactions energy: -22.236
where: short stacking energy: -19.025
Base-Backbone interact. energy: -0.165
local terms energy: -49.654506
where:
bonds (distance) C4'-P energy: -13.493
bonds (distance) P-C4' energy: -16.383
flat angles C4'-P-C4' energy: -13.062
flat angles P-C4'-P energy: -8.841
tors. eta vs tors. theta energy: 2.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -78.852488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.852488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.852488 (E_RNA)
where:
Base-Base interactions energy: -37.970
where: short stacking energy: -24.479
Base-Backbone interact. energy: -0.247
local terms energy: -40.635019
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -12.927
flat angles C4'-P-C4' energy: -12.079
flat angles P-C4'-P energy: -4.073
tors. eta vs tors. theta energy: 0.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -222.282090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.282090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.282090 (E_RNA)
where:
Base-Base interactions energy: -146.011
where: short stacking energy: -55.723
Base-Backbone interact. energy: -0.073
local terms energy: -76.198548
where:
bonds (distance) C4'-P energy: -14.726
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -16.513
flat angles P-C4'-P energy: -11.517
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: 2, replica: 8
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -190.664508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.664508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.664508 (E_RNA)
where:
Base-Base interactions energy: -118.945
where: short stacking energy: -55.098
Base-Backbone interact. energy: -0.526
local terms energy: -71.193584
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -11.892
tors. eta vs tors. theta energy: -16.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -185.177524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.177524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.177524 (E_RNA)
where:
Base-Base interactions energy: -116.081
where: short stacking energy: -56.369
Base-Backbone interact. energy: -0.078
local terms energy: -69.018930
where:
bonds (distance) C4'-P energy: -16.588
bonds (distance) P-C4' energy: -7.746
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -9.451
tors. eta vs tors. theta energy: -21.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -201.897140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.897140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.897140 (E_RNA)
where:
Base-Base interactions energy: -139.243
where: short stacking energy: -60.586
Base-Backbone interact. energy: -0.101
local terms energy: -62.553330
where:
bonds (distance) C4'-P energy: -12.012
bonds (distance) P-C4' energy: -14.809
flat angles C4'-P-C4' energy: -11.806
flat angles P-C4'-P energy: -6.144
tors. eta vs tors. theta energy: -17.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -165.340516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.340516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.340516 (E_RNA)
where:
Base-Base interactions energy: -113.051
where: short stacking energy: -52.226
Base-Backbone interact. energy: -0.247
local terms energy: -52.042116
where:
bonds (distance) C4'-P energy: -11.295
bonds (distance) P-C4' energy: -9.939
flat angles C4'-P-C4' energy: -8.072
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -12.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -103.652991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.652991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.652991 (E_RNA)
where:
Base-Base interactions energy: -43.449
where: short stacking energy: -32.056
Base-Backbone interact. energy: 0.397
local terms energy: -60.600598
where:
bonds (distance) C4'-P energy: -15.608
bonds (distance) P-C4' energy: -18.123
flat angles C4'-P-C4' energy: -13.622
flat angles P-C4'-P energy: -8.242
tors. eta vs tors. theta energy: -5.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -95.959805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.959805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.959805 (E_RNA)
where:
Base-Base interactions energy: -44.259
where: short stacking energy: -44.259
Base-Backbone interact. energy: -0.092
local terms energy: -51.608542
where:
bonds (distance) C4'-P energy: -9.068
bonds (distance) P-C4' energy: -13.520
flat angles C4'-P-C4' energy: -12.513
flat angles P-C4'-P energy: -11.395
tors. eta vs tors. theta energy: -5.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -96.668537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.668537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.668537 (E_RNA)
where:
Base-Base interactions energy: -41.689
where: short stacking energy: -36.839
Base-Backbone interact. energy: -0.121
local terms energy: -54.859391
where:
bonds (distance) C4'-P energy: -10.996
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -13.313
flat angles P-C4'-P energy: -8.662
tors. eta vs tors. theta energy: -3.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -82.122159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.122159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.122159 (E_RNA)
where:
Base-Base interactions energy: -31.707
where: short stacking energy: -31.390
Base-Backbone interact. energy: -0.110
local terms energy: -50.304536
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -12.541
flat angles C4'-P-C4' energy: -10.203
flat angles P-C4'-P energy: -7.270
tors. eta vs tors. theta energy: -8.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -102.886173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.886173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.886173 (E_RNA)
where:
Base-Base interactions energy: -50.445
where: short stacking energy: -35.707
Base-Backbone interact. energy: -0.451
local terms energy: -51.989853
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -9.928
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -8.689
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: 1, replica: 8
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -199.001914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.001914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.001914 (E_RNA)
where:
Base-Base interactions energy: -126.954
where: short stacking energy: -58.819
Base-Backbone interact. energy: -0.105
local terms energy: -71.942914
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -17.587
flat angles P-C4'-P energy: -6.576
tors. eta vs tors. theta energy: -16.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -207.773500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.773500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.773500 (E_RNA)
where:
Base-Base interactions energy: -139.124
where: short stacking energy: -63.015
Base-Backbone interact. energy: -0.578
local terms energy: -68.071074
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -14.700
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -6.836
tors. eta vs tors. theta energy: -15.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -204.548475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.548475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.548475 (E_RNA)
where:
Base-Base interactions energy: -133.899
where: short stacking energy: -58.726
Base-Backbone interact. energy: 0.411
local terms energy: -71.060103
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -16.926
flat angles P-C4'-P energy: -9.175
tors. eta vs tors. theta energy: -15.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -185.332714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.332714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.332714 (E_RNA)
where:
Base-Base interactions energy: -112.890
where: short stacking energy: -62.259
Base-Backbone interact. energy: -0.104
local terms energy: -72.339290
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -13.207
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -10.229
tors. eta vs tors. theta energy: -19.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -170.424320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.424320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.424320 (E_RNA)
where:
Base-Base interactions energy: -103.602
where: short stacking energy: -52.058
Base-Backbone interact. energy: -0.035
local terms energy: -66.787016
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -12.498
flat angles C4'-P-C4' energy: -15.320
flat angles P-C4'-P energy: -10.169
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: 6, replica: 5
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -104.322926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.322926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.322926 (E_RNA)
where:
Base-Base interactions energy: -46.116
where: short stacking energy: -33.636
Base-Backbone interact. energy: -0.036
local terms energy: -58.170887
where:
bonds (distance) C4'-P energy: -11.995
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -14.569
flat angles P-C4'-P energy: -10.912
tors. eta vs tors. theta energy: -4.760
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: 7
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -96.549683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.549683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.549683 (E_RNA)
where:
Base-Base interactions energy: -34.868
where: short stacking energy: -34.722
Base-Backbone interact. energy: -0.348
local terms energy: -61.334444
where:
bonds (distance) C4'-P energy: -17.005
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -10.094
flat angles P-C4'-P energy: -8.763
tors. eta vs tors. theta energy: -7.487
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: 9
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -86.318571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.318571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.318571 (E_RNA)
where:
Base-Base interactions energy: -33.664
where: short stacking energy: -30.900
Base-Backbone interact. energy: -0.078
local terms energy: -52.576289
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -12.691
flat angles C4'-P-C4' energy: -8.935
flat angles P-C4'-P energy: -11.008
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: 9, replica: 6
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -86.907442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.907442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.907442 (E_RNA)
where:
Base-Base interactions energy: -33.283
where: short stacking energy: -29.610
Base-Backbone interact. energy: -0.021
local terms energy: -53.602998
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -12.780
flat angles C4'-P-C4' energy: -12.114
flat angles P-C4'-P energy: -8.351
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: 10
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -82.058450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.058450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.058450 (E_RNA)
where:
Base-Base interactions energy: -33.414
where: short stacking energy: -28.441
Base-Backbone interact. energy: -0.027
local terms energy: -48.617876
where:
bonds (distance) C4'-P energy: -12.636
bonds (distance) P-C4' energy: -18.205
flat angles C4'-P-C4' energy: -14.256
flat angles P-C4'-P energy: -5.616
tors. eta vs tors. theta energy: 2.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -201.196404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.196404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.196404 (E_RNA)
where:
Base-Base interactions energy: -127.477
where: short stacking energy: -59.301
Base-Backbone interact. energy: -0.085
local terms energy: -73.634898
where:
bonds (distance) C4'-P energy: -14.065
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -16.159
flat angles P-C4'-P energy: -12.698
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: 3
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -217.446432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.446432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.446432 (E_RNA)
where:
Base-Base interactions energy: -137.508
where: short stacking energy: -69.211
Base-Backbone interact. energy: -0.342
local terms energy: -79.596746
where:
bonds (distance) C4'-P energy: -13.530
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -14.546
flat angles P-C4'-P energy: -12.231
tors. eta vs tors. theta energy: -20.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -174.619211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.619211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.619211 (E_RNA)
where:
Base-Base interactions energy: -114.552
where: short stacking energy: -45.883
Base-Backbone interact. energy: -0.689
local terms energy: -59.378261
where:
bonds (distance) C4'-P energy: -15.750
bonds (distance) P-C4' energy: -11.471
flat angles C4'-P-C4' energy: -15.097
flat angles P-C4'-P energy: -9.623
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: 4, replica: 2
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -175.848696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.848696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.848696 (E_RNA)
where:
Base-Base interactions energy: -114.078
where: short stacking energy: -53.298
Base-Backbone interact. energy: -0.214
local terms energy: -61.556929
where:
bonds (distance) C4'-P energy: -13.836
bonds (distance) P-C4' energy: -15.370
flat angles C4'-P-C4' energy: -9.841
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: -12.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -157.159982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.159982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.159982 (E_RNA)
where:
Base-Base interactions energy: -99.595
where: short stacking energy: -56.323
Base-Backbone interact. energy: -0.226
local terms energy: -57.338484
where:
bonds (distance) C4'-P energy: -10.605
bonds (distance) P-C4' energy: -11.973
flat angles C4'-P-C4' energy: -11.872
flat angles P-C4'-P energy: -7.560
tors. eta vs tors. theta energy: -15.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -118.719053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.719053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.719053 (E_RNA)
where:
Base-Base interactions energy: -59.307
where: short stacking energy: -39.905
Base-Backbone interact. energy: -0.197
local terms energy: -59.215741
where:
bonds (distance) C4'-P energy: -14.844
bonds (distance) P-C4' energy: -11.821
flat angles C4'-P-C4' energy: -15.781
flat angles P-C4'-P energy: -6.902
tors. eta vs tors. theta energy: -9.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -86.001126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.001126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.001126 (E_RNA)
where:
Base-Base interactions energy: -33.620
where: short stacking energy: -26.061
Base-Backbone interact. energy: -0.407
local terms energy: -51.974063
where:
bonds (distance) C4'-P energy: -11.093
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -15.356
flat angles P-C4'-P energy: -7.904
tors. eta vs tors. theta energy: -3.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -91.085422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.085422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.085422 (E_RNA)
where:
Base-Base interactions energy: -35.735
where: short stacking energy: -35.735
Base-Backbone interact. energy: -0.003
local terms energy: -55.347781
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -11.507
flat angles P-C4'-P energy: -7.661
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: 9
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -84.025734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.025734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.025734 (E_RNA)
where:
Base-Base interactions energy: -36.094
where: short stacking energy: -26.366
Base-Backbone interact. energy: 4.142
local terms energy: -52.073738
where:
bonds (distance) C4'-P energy: -14.251
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -13.100
flat angles P-C4'-P energy: -4.385
tors. eta vs tors. theta energy: -4.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -81.889236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.889236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.889236 (E_RNA)
where:
Base-Base interactions energy: -45.763
where: short stacking energy: -17.977
Base-Backbone interact. energy: -0.331
local terms energy: -35.795279
where:
bonds (distance) C4'-P energy: -10.003
bonds (distance) P-C4' energy: -10.107
flat angles C4'-P-C4' energy: -8.679
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: 1.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -219.975420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.975420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.975420 (E_RNA)
where:
Base-Base interactions energy: -146.673
where: short stacking energy: -74.993
Base-Backbone interact. energy: -0.104
local terms energy: -73.199281
where:
bonds (distance) C4'-P energy: -12.568
bonds (distance) P-C4' energy: -10.953
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -10.998
tors. eta vs tors. theta energy: -22.455
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: 8
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -200.394704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.394704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.394704 (E_RNA)
where:
Base-Base interactions energy: -125.874
where: short stacking energy: -64.269
Base-Backbone interact. energy: -0.623
local terms energy: -73.897841
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -18.094
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: -15.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -174.541484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.541484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.541484 (E_RNA)
where:
Base-Base interactions energy: -111.058
where: short stacking energy: -41.939
Base-Backbone interact. energy: 1.008
local terms energy: -64.490966
where:
bonds (distance) C4'-P energy: -11.681
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -11.973
flat angles P-C4'-P energy: -12.214
tors. eta vs tors. theta energy: -10.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -155.125493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.125493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.125493 (E_RNA)
where:
Base-Base interactions energy: -101.709
where: short stacking energy: -48.553
Base-Backbone interact. energy: -0.063
local terms energy: -53.353931
where:
bonds (distance) C4'-P energy: -10.569
bonds (distance) P-C4' energy: -11.780
flat angles C4'-P-C4' energy: -11.349
flat angles P-C4'-P energy: -9.763
tors. eta vs tors. theta energy: -9.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -155.845185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.845185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.845185 (E_RNA)
where:
Base-Base interactions energy: -95.758
where: short stacking energy: -45.950
Base-Backbone interact. energy: -0.119
local terms energy: -59.968800
where:
bonds (distance) C4'-P energy: -10.351
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -13.532
flat angles P-C4'-P energy: -10.866
tors. eta vs tors. theta energy: -10.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -100.902861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.902861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.902861 (E_RNA)
where:
Base-Base interactions energy: -42.517
where: short stacking energy: -31.353
Base-Backbone interact. energy: -0.061
local terms energy: -58.324857
where:
bonds (distance) C4'-P energy: -17.986
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -11.801
flat angles P-C4'-P energy: -12.617
tors. eta vs tors. theta energy: -1.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -105.550593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.550593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.550593 (E_RNA)
where:
Base-Base interactions energy: -53.394
where: short stacking energy: -37.314
Base-Backbone interact. energy: -2.159
local terms energy: -49.998466
where:
bonds (distance) C4'-P energy: -10.580
bonds (distance) P-C4' energy: -13.246
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -7.140
tors. eta vs tors. theta energy: -5.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -83.984016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.984016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.984016 (E_RNA)
where:
Base-Base interactions energy: -31.472
where: short stacking energy: -31.472
Base-Backbone interact. energy: -0.075
local terms energy: -52.436519
where:
bonds (distance) C4'-P energy: -9.948
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -12.992
flat angles P-C4'-P energy: -6.002
tors. eta vs tors. theta energy: -5.785
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: 10
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -79.859433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.859433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.859433 (E_RNA)
where:
Base-Base interactions energy: -22.890
where: short stacking energy: -22.745
Base-Backbone interact. energy: 0.117
local terms energy: -57.086297
where:
bonds (distance) C4'-P energy: -16.355
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -11.994
flat angles P-C4'-P energy: -10.670
tors. eta vs tors. theta energy: -1.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -84.606150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.606150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.606150 (E_RNA)
where:
Base-Base interactions energy: -36.214
where: short stacking energy: -33.817
Base-Backbone interact. energy: -0.041
local terms energy: -48.351257
where:
bonds (distance) C4'-P energy: -6.458
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -12.868
flat angles P-C4'-P energy: -7.384
tors. eta vs tors. theta energy: -3.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -211.076490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.076490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.076490 (E_RNA)
where:
Base-Base interactions energy: -137.262
where: short stacking energy: -64.168
Base-Backbone interact. energy: -0.242
local terms energy: -73.572643
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -14.851
flat angles C4'-P-C4' energy: -15.271
flat angles P-C4'-P energy: -12.678
tors. eta vs tors. theta energy: -17.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -200.640309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.640309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.640309 (E_RNA)
where:
Base-Base interactions energy: -127.133
where: short stacking energy: -57.206
Base-Backbone interact. energy: -0.077
local terms energy: -73.429854
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -13.656
flat angles P-C4'-P energy: -12.266
tors. eta vs tors. theta energy: -16.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -177.095927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.095927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.095927 (E_RNA)
where:
Base-Base interactions energy: -101.469
where: short stacking energy: -60.153
Base-Backbone interact. energy: -0.009
local terms energy: -75.617617
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -15.030
flat angles C4'-P-C4' energy: -18.528
flat angles P-C4'-P energy: -12.611
tors. eta vs tors. theta energy: -14.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -149.066618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.066618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.066618 (E_RNA)
where:
Base-Base interactions energy: -83.632
where: short stacking energy: -46.715
Base-Backbone interact. energy: 1.073
local terms energy: -66.507580
where:
bonds (distance) C4'-P energy: -11.982
bonds (distance) P-C4' energy: -17.399
flat angles C4'-P-C4' energy: -15.803
flat angles P-C4'-P energy: -10.739
tors. eta vs tors. theta energy: -10.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -152.445753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.445753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.445753 (E_RNA)
where:
Base-Base interactions energy: -91.064
where: short stacking energy: -45.290
Base-Backbone interact. energy: -0.134
local terms energy: -61.247164
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -10.623
flat angles P-C4'-P energy: -9.445
tors. eta vs tors. theta energy: -10.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -105.537200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.537200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.537200 (E_RNA)
where:
Base-Base interactions energy: -41.427
where: short stacking energy: -36.551
Base-Backbone interact. energy: -0.140
local terms energy: -63.970601
where:
bonds (distance) C4'-P energy: -11.125
bonds (distance) P-C4' energy: -18.626
flat angles C4'-P-C4' energy: -13.828
flat angles P-C4'-P energy: -14.112
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: 7, replica: 6
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -103.304450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.304450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.304450 (E_RNA)
where:
Base-Base interactions energy: -55.279
where: short stacking energy: -44.111
Base-Backbone interact. energy: -0.319
local terms energy: -47.706636
where:
bonds (distance) C4'-P energy: -10.316
bonds (distance) P-C4' energy: -10.036
flat angles C4'-P-C4' energy: -11.136
flat angles P-C4'-P energy: -9.796
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: 10
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -82.120281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.120281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.120281 (E_RNA)
where:
Base-Base interactions energy: -30.484
where: short stacking energy: -27.669
Base-Backbone interact. energy: -0.116
local terms energy: -51.520145
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -15.092
flat angles P-C4'-P energy: -3.462
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: 9, replica: 5
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -87.850429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.850429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.850429 (E_RNA)
where:
Base-Base interactions energy: -35.205
where: short stacking energy: -35.205
Base-Backbone interact. energy: -0.006
local terms energy: -52.639770
where:
bonds (distance) C4'-P energy: -10.927
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -11.371
flat angles P-C4'-P energy: -10.625
tors. eta vs tors. theta energy: -6.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -78.084612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.084612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.084612 (E_RNA)
where:
Base-Base interactions energy: -24.019
where: short stacking energy: -23.890
Base-Backbone interact. energy: -0.129
local terms energy: -53.937146
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -14.801
flat angles C4'-P-C4' energy: -15.868
flat angles P-C4'-P energy: -4.595
tors. eta vs tors. theta energy: -4.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -215.712313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.712313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.712313 (E_RNA)
where:
Base-Base interactions energy: -134.612
where: short stacking energy: -62.085
Base-Backbone interact. energy: -0.433
local terms energy: -80.667462
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -17.093
flat angles P-C4'-P energy: -11.269
tors. eta vs tors. theta energy: -19.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -197.383065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.383065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.383065 (E_RNA)
where:
Base-Base interactions energy: -115.660
where: short stacking energy: -48.386
Base-Backbone interact. energy: -0.104
local terms energy: -81.619717
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -16.619
flat angles C4'-P-C4' energy: -16.361
flat angles P-C4'-P energy: -13.586
tors. eta vs tors. theta energy: -19.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -166.405151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.405151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.405151 (E_RNA)
where:
Base-Base interactions energy: -94.670
where: short stacking energy: -51.689
Base-Backbone interact. energy: -0.007
local terms energy: -71.727895
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -17.437
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -13.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -176.296443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.296443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.296443 (E_RNA)
where:
Base-Base interactions energy: -107.953
where: short stacking energy: -53.962
Base-Backbone interact. energy: -0.554
local terms energy: -67.789365
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -15.710
flat angles P-C4'-P energy: -8.689
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: 7
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -112.952422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.952422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.952422 (E_RNA)
where:
Base-Base interactions energy: -57.292
where: short stacking energy: -40.787
Base-Backbone interact. energy: -0.024
local terms energy: -55.636351
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -11.832
flat angles P-C4'-P energy: -9.079
tors. eta vs tors. theta energy: -5.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -133.631071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.631071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.631071 (E_RNA)
where:
Base-Base interactions energy: -70.212
where: short stacking energy: -46.200
Base-Backbone interact. energy: -0.224
local terms energy: -63.195316
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -12.134
flat angles P-C4'-P energy: -8.665
tors. eta vs tors. theta energy: -8.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -149.520864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.520864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.520864 (E_RNA)
where:
Base-Base interactions energy: -86.045
where: short stacking energy: -54.158
Base-Backbone interact. energy: -0.228
local terms energy: -63.247579
where:
bonds (distance) C4'-P energy: -11.213
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -12.171
tors. eta vs tors. theta energy: -13.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -98.976855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.976855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.976855 (E_RNA)
where:
Base-Base interactions energy: -42.150
where: short stacking energy: -39.671
Base-Backbone interact. energy: -0.284
local terms energy: -56.543524
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -10.563
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -8.064
tors. eta vs tors. theta energy: -7.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -84.551293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.551293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.551293 (E_RNA)
where:
Base-Base interactions energy: -33.153
where: short stacking energy: -31.169
Base-Backbone interact. energy: -0.028
local terms energy: -51.370270
where:
bonds (distance) C4'-P energy: -16.687
bonds (distance) P-C4' energy: -13.625
flat angles C4'-P-C4' energy: -9.250
flat angles P-C4'-P energy: -4.296
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: 10, replica: 9
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -77.818314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.818314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.818314 (E_RNA)
where:
Base-Base interactions energy: -28.934
where: short stacking energy: -28.101
Base-Backbone interact. energy: -0.125
local terms energy: -48.758582
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -12.501
flat angles P-C4'-P energy: -4.874
tors. eta vs tors. theta energy: -4.758
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: 1, replica: 3
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -218.320393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.320393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.320393 (E_RNA)
where:
Base-Base interactions energy: -138.258
where: short stacking energy: -62.549
Base-Backbone interact. energy: -0.604
local terms energy: -79.458136
where:
bonds (distance) C4'-P energy: -13.963
bonds (distance) P-C4' energy: -16.931
flat angles C4'-P-C4' energy: -17.386
flat angles P-C4'-P energy: -11.295
tors. eta vs tors. theta energy: -19.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -188.061645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.061645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.061645 (E_RNA)
where:
Base-Base interactions energy: -118.723
where: short stacking energy: -66.097
Base-Backbone interact. energy: -0.002
local terms energy: -69.336709
where:
bonds (distance) C4'-P energy: -12.450
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -13.888
flat angles P-C4'-P energy: -7.078
tors. eta vs tors. theta energy: -20.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -197.656835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.656835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.656835 (E_RNA)
where:
Base-Base interactions energy: -127.444
where: short stacking energy: -55.277
Base-Backbone interact. energy: -0.893
local terms energy: -69.320224
where:
bonds (distance) C4'-P energy: -14.443
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -12.659
tors. eta vs tors. theta energy: -13.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -184.380330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.380330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.380330 (E_RNA)
where:
Base-Base interactions energy: -116.339
where: short stacking energy: -55.613
Base-Backbone interact. energy: -0.077
local terms energy: -67.964902
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -14.335
flat angles P-C4'-P energy: -8.850
tors. eta vs tors. theta energy: -14.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -104.805486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.805486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.805486 (E_RNA)
where:
Base-Base interactions energy: -48.556
where: short stacking energy: -31.561
Base-Backbone interact. energy: 0.240
local terms energy: -56.489458
where:
bonds (distance) C4'-P energy: -10.397
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -12.264
flat angles P-C4'-P energy: -8.548
tors. eta vs tors. theta energy: -7.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -115.127523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.127523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.127523 (E_RNA)
where:
Base-Base interactions energy: -64.023
where: short stacking energy: -27.871
Base-Backbone interact. energy: -0.149
local terms energy: -50.954643
where:
bonds (distance) C4'-P energy: -13.176
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -14.662
flat angles P-C4'-P energy: -6.368
tors. eta vs tors. theta energy: -2.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -84.515905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.515905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.515905 (E_RNA)
where:
Base-Base interactions energy: -36.577
where: short stacking energy: -36.577
Base-Backbone interact. energy: -0.113
local terms energy: -47.826634
where:
bonds (distance) C4'-P energy: -18.156
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -6.199
flat angles P-C4'-P energy: -1.821
tors. eta vs tors. theta energy: -8.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -82.358718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.358718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.358718 (E_RNA)
where:
Base-Base interactions energy: -30.553
where: short stacking energy: -29.508
Base-Backbone interact. energy: -0.124
local terms energy: -51.681429
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -11.854
flat angles P-C4'-P energy: -8.048
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: 9, replica: 10
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -96.124957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.124957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.124957 (E_RNA)
where:
Base-Base interactions energy: -40.149
where: short stacking energy: -29.562
Base-Backbone interact. energy: -0.035
local terms energy: -55.941188
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: -11.931
tors. eta vs tors. theta energy: -1.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -76.144582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.144582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.144582 (E_RNA)
where:
Base-Base interactions energy: -35.872
where: short stacking energy: -34.392
Base-Backbone interact. energy: 0.516
local terms energy: -40.788979
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -14.155
flat angles C4'-P-C4' energy: -10.041
flat angles P-C4'-P energy: -5.800
tors. eta vs tors. theta energy: 2.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -196.487039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.487039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.487039 (E_RNA)
where:
Base-Base interactions energy: -121.459
where: short stacking energy: -68.810
Base-Backbone interact. energy: -0.000
local terms energy: -75.027819
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -10.396
flat angles P-C4'-P energy: -11.727
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: 3
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -217.323778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.323778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.323778 (E_RNA)
where:
Base-Base interactions energy: -132.934
where: short stacking energy: -60.886
Base-Backbone interact. energy: -0.017
local terms energy: -84.372578
where:
bonds (distance) C4'-P energy: -17.328
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -18.459
flat angles P-C4'-P energy: -10.668
tors. eta vs tors. theta energy: -21.158
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: 424
Temperature: 1.000000
Total energy: -199.175062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.175062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.175062 (E_RNA)
where:
Base-Base interactions energy: -135.368
where: short stacking energy: -59.118
Base-Backbone interact. energy: -1.294
local terms energy: -62.512800
where:
bonds (distance) C4'-P energy: -11.665
bonds (distance) P-C4' energy: -15.109
flat angles C4'-P-C4' energy: -12.921
flat angles P-C4'-P energy: -9.545
tors. eta vs tors. theta energy: -13.273
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: 2
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -167.346058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.346058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.346058 (E_RNA)
where:
Base-Base interactions energy: -97.898
where: short stacking energy: -41.700
Base-Backbone interact. energy: -0.377
local terms energy: -69.071626
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -14.704
flat angles C4'-P-C4' energy: -14.652
flat angles P-C4'-P energy: -10.316
tors. eta vs tors. theta energy: -13.343
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: 5, replica: 7
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -102.291526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.291526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.291526 (E_RNA)
where:
Base-Base interactions energy: -48.025
where: short stacking energy: -45.463
Base-Backbone interact. energy: -0.038
local terms energy: -54.228651
where:
bonds (distance) C4'-P energy: -10.864
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -12.340
flat angles P-C4'-P energy: -8.895
tors. eta vs tors. theta energy: -5.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -112.460708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.460708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.460708 (E_RNA)
where:
Base-Base interactions energy: -59.808
where: short stacking energy: -47.498
Base-Backbone interact. energy: 0.782
local terms energy: -53.434826
where:
bonds (distance) C4'-P energy: -11.357
bonds (distance) P-C4' energy: -13.667
flat angles C4'-P-C4' energy: -15.348
flat angles P-C4'-P energy: -9.049
tors. eta vs tors. theta energy: -4.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -103.576209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.576209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.576209 (E_RNA)
where:
Base-Base interactions energy: -45.172
where: short stacking energy: -33.372
Base-Backbone interact. energy: -0.342
local terms energy: -58.062431
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -16.110
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: -5.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -95.085809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.085809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.085809 (E_RNA)
where:
Base-Base interactions energy: -36.203
where: short stacking energy: -32.833
Base-Backbone interact. energy: -0.195
local terms energy: -58.687911
where:
bonds (distance) C4'-P energy: -13.456
bonds (distance) P-C4' energy: -15.045
flat angles C4'-P-C4' energy: -14.569
flat angles P-C4'-P energy: -11.008
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: 9, replica: 9
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -80.509579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.509579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.509579 (E_RNA)
where:
Base-Base interactions energy: -40.016
where: short stacking energy: -26.359
Base-Backbone interact. energy: -0.028
local terms energy: -40.465593
where:
bonds (distance) C4'-P energy: -10.315
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -9.947
flat angles P-C4'-P energy: -3.589
tors. eta vs tors. theta energy: -2.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -85.354556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.354556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.354556 (E_RNA)
where:
Base-Base interactions energy: -35.208
where: short stacking energy: -31.668
Base-Backbone interact. energy: -0.023
local terms energy: -50.123430
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -11.139
flat angles C4'-P-C4' energy: -12.703
flat angles P-C4'-P energy: -6.739
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: 1, replica: 8
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -198.966779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.966779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.966779 (E_RNA)
where:
Base-Base interactions energy: -128.502
where: short stacking energy: -59.074
Base-Backbone interact. energy: -0.009
local terms energy: -70.455534
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -17.722
flat angles P-C4'-P energy: -8.812
tors. eta vs tors. theta energy: -12.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -208.143373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.143373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.143373 (E_RNA)
where:
Base-Base interactions energy: -129.966
where: short stacking energy: -69.797
Base-Backbone interact. energy: -1.276
local terms energy: -76.902316
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -16.244
flat angles P-C4'-P energy: -10.352
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: 3, replica: 4
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -183.721338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.721338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.721338 (E_RNA)
where:
Base-Base interactions energy: -118.426
where: short stacking energy: -55.472
Base-Backbone interact. energy: -0.092
local terms energy: -65.204110
where:
bonds (distance) C4'-P energy: -17.108
bonds (distance) P-C4' energy: -10.603
flat angles C4'-P-C4' energy: -13.994
flat angles P-C4'-P energy: -10.196
tors. eta vs tors. theta energy: -13.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -185.858752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.858752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.858752 (E_RNA)
where:
Base-Base interactions energy: -132.479
where: short stacking energy: -56.601
Base-Backbone interact. energy: -0.025
local terms energy: -53.355055
where:
bonds (distance) C4'-P energy: -11.767
bonds (distance) P-C4' energy: -10.670
flat angles C4'-P-C4' energy: -9.289
flat angles P-C4'-P energy: -5.961
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: 5, replica: 7
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -103.750212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.750212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.750212 (E_RNA)
where:
Base-Base interactions energy: -48.029
where: short stacking energy: -43.503
Base-Backbone interact. energy: -0.876
local terms energy: -54.844733
where:
bonds (distance) C4'-P energy: -11.747
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -5.230
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: 6, replica: 5
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -122.198281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.198281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.198281 (E_RNA)
where:
Base-Base interactions energy: -71.426
where: short stacking energy: -42.180
Base-Backbone interact. energy: -0.056
local terms energy: -50.716218
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -11.920
flat angles P-C4'-P energy: -6.380
tors. eta vs tors. theta energy: -5.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -109.474844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.474844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.474844 (E_RNA)
where:
Base-Base interactions energy: -54.578
where: short stacking energy: -31.621
Base-Backbone interact. energy: -0.143
local terms energy: -54.753721
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -13.021
flat angles P-C4'-P energy: -5.392
tors. eta vs tors. theta energy: -6.580
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: 9
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -89.276524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.276524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.276524 (E_RNA)
where:
Base-Base interactions energy: -36.180
where: short stacking energy: -23.375
Base-Backbone interact. energy: -0.131
local terms energy: -52.965744
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -10.215
flat angles C4'-P-C4' energy: -13.656
flat angles P-C4'-P energy: -11.543
tors. eta vs tors. theta energy: -4.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -82.184125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.184125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.184125 (E_RNA)
where:
Base-Base interactions energy: -34.732
where: short stacking energy: -34.550
Base-Backbone interact. energy: -0.182
local terms energy: -47.270266
where:
bonds (distance) C4'-P energy: -10.397
bonds (distance) P-C4' energy: -14.180
flat angles C4'-P-C4' energy: -11.104
flat angles P-C4'-P energy: -6.081
tors. eta vs tors. theta energy: -5.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -84.480008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.480008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.480008 (E_RNA)
where:
Base-Base interactions energy: -31.558
where: short stacking energy: -27.560
Base-Backbone interact. energy: -0.208
local terms energy: -52.714065
where:
bonds (distance) C4'-P energy: -11.661
bonds (distance) P-C4' energy: -11.389
flat angles C4'-P-C4' energy: -14.779
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -5.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -212.505842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.505842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.505842 (E_RNA)
where:
Base-Base interactions energy: -140.620
where: short stacking energy: -66.915
Base-Backbone interact. energy: -0.013
local terms energy: -71.872616
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -16.861
flat angles P-C4'-P energy: -8.306
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: 2, replica: 3
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -208.620536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.620536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.620536 (E_RNA)
where:
Base-Base interactions energy: -136.977
where: short stacking energy: -71.683
Base-Backbone interact. energy: -0.085
local terms energy: -71.558980
where:
bonds (distance) C4'-P energy: -11.921
bonds (distance) P-C4' energy: -12.103
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -12.892
tors. eta vs tors. theta energy: -20.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -188.213634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.213634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.213634 (E_RNA)
where:
Base-Base interactions energy: -123.382
where: short stacking energy: -53.313
Base-Backbone interact. energy: -0.330
local terms energy: -64.501594
where:
bonds (distance) C4'-P energy: -9.647
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -8.412
tors. eta vs tors. theta energy: -15.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -196.813450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.813450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.813450 (E_RNA)
where:
Base-Base interactions energy: -132.372
where: short stacking energy: -62.774
Base-Backbone interact. energy: -1.197
local terms energy: -63.244503
where:
bonds (distance) C4'-P energy: -11.985
bonds (distance) P-C4' energy: -14.091
flat angles C4'-P-C4' energy: -16.228
flat angles P-C4'-P energy: -3.714
tors. eta vs tors. theta energy: -17.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -112.148265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.148265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.148265 (E_RNA)
where:
Base-Base interactions energy: -56.515
where: short stacking energy: -44.438
Base-Backbone interact. energy: -0.077
local terms energy: -55.555754
where:
bonds (distance) C4'-P energy: -11.209
bonds (distance) P-C4' energy: -14.557
flat angles C4'-P-C4' energy: -10.715
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -8.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -97.886853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.886853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.886853 (E_RNA)
where:
Base-Base interactions energy: -45.558
where: short stacking energy: -45.558
Base-Backbone interact. energy: -0.067
local terms energy: -52.261436
where:
bonds (distance) C4'-P energy: -13.864
bonds (distance) P-C4' energy: -8.124
flat angles C4'-P-C4' energy: -14.434
flat angles P-C4'-P energy: -5.810
tors. eta vs tors. theta energy: -10.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -96.101277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.101277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.101277 (E_RNA)
where:
Base-Base interactions energy: -39.312
where: short stacking energy: -34.291
Base-Backbone interact. energy: -1.934
local terms energy: -54.854772
where:
bonds (distance) C4'-P energy: -10.929
bonds (distance) P-C4' energy: -12.795
flat angles C4'-P-C4' energy: -16.172
flat angles P-C4'-P energy: -9.902
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: 8, replica: 9
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -83.894456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.894456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.894456 (E_RNA)
where:
Base-Base interactions energy: -38.940
where: short stacking energy: -27.469
Base-Backbone interact. energy: -0.518
local terms energy: -44.436934
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -0.106
tors. eta vs tors. theta energy: 0.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -73.190712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.190712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.190712 (E_RNA)
where:
Base-Base interactions energy: -28.448
where: short stacking energy: -27.342
Base-Backbone interact. energy: -0.534
local terms energy: -44.208809
where:
bonds (distance) C4'-P energy: -12.475
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -11.146
flat angles P-C4'-P energy: -5.546
tors. eta vs tors. theta energy: -1.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -80.564737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.564737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.564737 (E_RNA)
where:
Base-Base interactions energy: -26.615
where: short stacking energy: -26.615
Base-Backbone interact. energy: -0.010
local terms energy: -53.939440
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -12.892
flat angles C4'-P-C4' energy: -14.014
flat angles P-C4'-P energy: -12.699
tors. eta vs tors. theta energy: -0.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -215.300413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.300413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.300413 (E_RNA)
where:
Base-Base interactions energy: -143.178
where: short stacking energy: -62.432
Base-Backbone interact. energy: -0.722
local terms energy: -71.400708
where:
bonds (distance) C4'-P energy: -14.747
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -16.201
flat angles P-C4'-P energy: -4.917
tors. eta vs tors. theta energy: -18.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -215.173104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.173104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.173104 (E_RNA)
where:
Base-Base interactions energy: -145.316
where: short stacking energy: -60.657
Base-Backbone interact. energy: -0.034
local terms energy: -69.823101
where:
bonds (distance) C4'-P energy: -10.563
bonds (distance) P-C4' energy: -13.785
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -18.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -201.713773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.713773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.713773 (E_RNA)
where:
Base-Base interactions energy: -135.204
where: short stacking energy: -63.692
Base-Backbone interact. energy: -0.006
local terms energy: -66.503659
where:
bonds (distance) C4'-P energy: -16.393
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -12.244
flat angles P-C4'-P energy: -5.829
tors. eta vs tors. theta energy: -16.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -194.134586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.134586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.134586 (E_RNA)
where:
Base-Base interactions energy: -129.047
where: short stacking energy: -57.357
Base-Backbone interact. energy: 2.834
local terms energy: -67.921833
where:
bonds (distance) C4'-P energy: -17.477
bonds (distance) P-C4' energy: -10.971
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -11.600
tors. eta vs tors. theta energy: -13.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -97.444219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.444219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.444219 (E_RNA)
where:
Base-Base interactions energy: -38.662
where: short stacking energy: -25.910
Base-Backbone interact. energy: 0.300
local terms energy: -59.082435
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -15.915
flat angles C4'-P-C4' energy: -16.655
flat angles P-C4'-P energy: -8.576
tors. eta vs tors. theta energy: -2.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -118.441006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.441006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.441006 (E_RNA)
where:
Base-Base interactions energy: -70.574
where: short stacking energy: -25.161
Base-Backbone interact. energy: -0.626
local terms energy: -47.241478
where:
bonds (distance) C4'-P energy: -14.315
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -8.112
flat angles P-C4'-P energy: -7.920
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: 7, replica: 7
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -93.336623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.336623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.336623 (E_RNA)
where:
Base-Base interactions energy: -45.647
where: short stacking energy: -31.106
Base-Backbone interact. energy: -0.221
local terms energy: -47.467994
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -9.394
flat angles P-C4'-P energy: -6.980
tors. eta vs tors. theta energy: -0.414
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: 427
Temperature: 1.250000
Total energy: -89.305609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.305609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.305609 (E_RNA)
where:
Base-Base interactions energy: -35.884
where: short stacking energy: -33.547
Base-Backbone interact. energy: 0.245
local terms energy: -53.666649
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -14.119
flat angles C4'-P-C4' energy: -7.680
flat angles P-C4'-P energy: -12.471
tors. eta vs tors. theta energy: -4.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -88.471382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.471382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.471382 (E_RNA)
where:
Base-Base interactions energy: -35.104
where: short stacking energy: -32.093
Base-Backbone interact. energy: -0.017
local terms energy: -53.350322
where:
bonds (distance) C4'-P energy: -15.806
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -12.456
flat angles P-C4'-P energy: -8.727
tors. eta vs tors. theta energy: -3.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -76.214438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.214438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.214438 (E_RNA)
where:
Base-Base interactions energy: -29.406
where: short stacking energy: -15.801
Base-Backbone interact. energy: -0.687
local terms energy: -46.121265
where:
bonds (distance) C4'-P energy: -12.170
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -8.784
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: 0.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -223.143747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.143747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.143747 (E_RNA)
where:
Base-Base interactions energy: -143.569
where: short stacking energy: -62.399
Base-Backbone interact. energy: -0.621
local terms energy: -78.953371
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -15.698
flat angles P-C4'-P energy: -9.046
tors. eta vs tors. theta energy: -20.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -204.162162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.162162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.162162 (E_RNA)
where:
Base-Base interactions energy: -128.378
where: short stacking energy: -64.121
Base-Backbone interact. energy: -1.297
local terms energy: -74.487226
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -13.712
flat angles P-C4'-P energy: -8.598
tors. eta vs tors. theta energy: -19.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -208.847188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.847188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.847188 (E_RNA)
where:
Base-Base interactions energy: -134.529
where: short stacking energy: -62.481
Base-Backbone interact. energy: -0.636
local terms energy: -73.683020
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -13.077
flat angles P-C4'-P energy: -11.869
tors. eta vs tors. theta energy: -15.646
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: 4, replica: 4
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -188.624426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.624426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.624426 (E_RNA)
where:
Base-Base interactions energy: -122.368
where: short stacking energy: -60.557
Base-Backbone interact. energy: -0.083
local terms energy: -66.173588
where:
bonds (distance) C4'-P energy: -10.617
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -17.989
flat angles P-C4'-P energy: -4.622
tors. eta vs tors. theta energy: -16.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -99.650442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.650442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.650442 (E_RNA)
where:
Base-Base interactions energy: -45.799
where: short stacking energy: -40.233
Base-Backbone interact. energy: -0.125
local terms energy: -53.726340
where:
bonds (distance) C4'-P energy: -13.193
bonds (distance) P-C4' energy: -14.421
flat angles C4'-P-C4' energy: -14.442
flat angles P-C4'-P energy: -6.261
tors. eta vs tors. theta energy: -5.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -101.416992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.416992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.416992 (E_RNA)
where:
Base-Base interactions energy: -45.742
where: short stacking energy: -23.447
Base-Backbone interact. energy: -0.275
local terms energy: -55.400058
where:
bonds (distance) C4'-P energy: -18.598
bonds (distance) P-C4' energy: -12.183
flat angles C4'-P-C4' energy: -13.896
flat angles P-C4'-P energy: -5.412
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: 7, replica: 7
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -94.017502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.017502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.017502 (E_RNA)
where:
Base-Base interactions energy: -47.887
where: short stacking energy: -38.516
Base-Backbone interact. energy: 2.362
local terms energy: -48.492462
where:
bonds (distance) C4'-P energy: -11.494
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -9.498
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: -3.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -89.329870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.329870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.329870 (E_RNA)
where:
Base-Base interactions energy: -40.518
where: short stacking energy: -34.975
Base-Backbone interact. energy: 1.712
local terms energy: -50.523944
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -12.644
flat angles P-C4'-P energy: -4.348
tors. eta vs tors. theta energy: -5.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -78.964441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.964441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.964441 (E_RNA)
where:
Base-Base interactions energy: -36.325
where: short stacking energy: -26.493
Base-Backbone interact. energy: -0.192
local terms energy: -42.447881
where:
bonds (distance) C4'-P energy: -6.887
bonds (distance) P-C4' energy: -12.862
flat angles C4'-P-C4' energy: -17.387
flat angles P-C4'-P energy: -6.966
tors. eta vs tors. theta energy: 1.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -77.080722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.080722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.080722 (E_RNA)
where:
Base-Base interactions energy: -24.706
where: short stacking energy: -24.596
Base-Backbone interact. energy: -0.277
local terms energy: -52.097237
where:
bonds (distance) C4'-P energy: -11.832
bonds (distance) P-C4' energy: -15.302
flat angles C4'-P-C4' energy: -13.052
flat angles P-C4'-P energy: -8.872
tors. eta vs tors. theta energy: -3.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -224.416725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.416725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.416725 (E_RNA)
where:
Base-Base interactions energy: -146.991
where: short stacking energy: -66.095
Base-Backbone interact. energy: -0.137
local terms energy: -77.287864
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -16.067
flat angles C4'-P-C4' energy: -15.949
flat angles P-C4'-P energy: -12.514
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: 2, replica: 2
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -205.488136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.488136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.488136 (E_RNA)
where:
Base-Base interactions energy: -136.944
where: short stacking energy: -59.401
Base-Backbone interact. energy: -0.002
local terms energy: -68.542335
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: -13.025
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: 8
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -194.186204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.186204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.186204 (E_RNA)
where:
Base-Base interactions energy: -129.731
where: short stacking energy: -55.015
Base-Backbone interact. energy: -0.017
local terms energy: -64.438298
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -10.642
flat angles P-C4'-P energy: -12.029
tors. eta vs tors. theta energy: -13.730
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: 4
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -165.173174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.173174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.173174 (E_RNA)
where:
Base-Base interactions energy: -106.312
where: short stacking energy: -49.096
Base-Backbone interact. energy: -0.071
local terms energy: -58.790228
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -15.900
flat angles C4'-P-C4' energy: -12.944
flat angles P-C4'-P energy: -9.742
tors. eta vs tors. theta energy: -7.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -105.151709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.151709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.151709 (E_RNA)
where:
Base-Base interactions energy: -39.687
where: short stacking energy: -35.734
Base-Backbone interact. energy: -0.061
local terms energy: -65.403277
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -13.356
flat angles P-C4'-P energy: -9.422
tors. eta vs tors. theta energy: -8.744
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: 429
Temperature: 1.150000
Total energy: -108.878021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.878021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.878021 (E_RNA)
where:
Base-Base interactions energy: -57.639
where: short stacking energy: -47.614
Base-Backbone interact. energy: -0.145
local terms energy: -51.094152
where:
bonds (distance) C4'-P energy: -9.330
bonds (distance) P-C4' energy: -12.422
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -5.184
tors. eta vs tors. theta energy: -10.288
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: 5
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -96.576549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.576549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.576549 (E_RNA)
where:
Base-Base interactions energy: -39.753
where: short stacking energy: -24.031
Base-Backbone interact. energy: -0.280
local terms energy: -56.544110
where:
bonds (distance) C4'-P energy: -16.747
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -7.854
flat angles P-C4'-P energy: -12.436
tors. eta vs tors. theta energy: -5.802
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: 6
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -80.624966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.624966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.624966 (E_RNA)
where:
Base-Base interactions energy: -32.635
where: short stacking energy: -29.492
Base-Backbone interact. energy: -0.171
local terms energy: -47.819013
where:
bonds (distance) C4'-P energy: -9.156
bonds (distance) P-C4' energy: -13.837
flat angles C4'-P-C4' energy: -14.178
flat angles P-C4'-P energy: -8.045
tors. eta vs tors. theta energy: -2.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -81.672589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.672589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.672589 (E_RNA)
where:
Base-Base interactions energy: -37.653
where: short stacking energy: -32.963
Base-Backbone interact. energy: -0.055
local terms energy: -43.965017
where:
bonds (distance) C4'-P energy: -10.786
bonds (distance) P-C4' energy: -13.728
flat angles C4'-P-C4' energy: -11.390
flat angles P-C4'-P energy: -7.698
tors. eta vs tors. theta energy: -0.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -74.644477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.644477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.644477 (E_RNA)
where:
Base-Base interactions energy: -20.723
where: short stacking energy: -20.723
Base-Backbone interact. energy: -0.238
local terms energy: -53.683507
where:
bonds (distance) C4'-P energy: -15.751
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -12.041
flat angles P-C4'-P energy: -10.221
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: 1, replica: 3
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -223.630207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.630207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.630207 (E_RNA)
where:
Base-Base interactions energy: -146.290
where: short stacking energy: -66.280
Base-Backbone interact. energy: 0.907
local terms energy: -78.248056
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -16.326
flat angles P-C4'-P energy: -12.377
tors. eta vs tors. theta energy: -18.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -196.886697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.886697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.886697 (E_RNA)
where:
Base-Base interactions energy: -131.008
where: short stacking energy: -57.826
Base-Backbone interact. energy: -0.007
local terms energy: -65.871948
where:
bonds (distance) C4'-P energy: -11.872
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -13.922
flat angles P-C4'-P energy: -11.217
tors. eta vs tors. theta energy: -13.906
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: 8
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -179.309671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.309671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.309671 (E_RNA)
where:
Base-Base interactions energy: -107.790
where: short stacking energy: -57.625
Base-Backbone interact. energy: -0.080
local terms energy: -71.439588
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -14.816
flat angles C4'-P-C4' energy: -16.453
flat angles P-C4'-P energy: -10.885
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: 4, replica: 4
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -165.597708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.597708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.597708 (E_RNA)
where:
Base-Base interactions energy: -112.568
where: short stacking energy: -45.366
Base-Backbone interact. energy: -0.268
local terms energy: -52.761670
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -10.039
flat angles C4'-P-C4' energy: -13.180
flat angles P-C4'-P energy: -5.484
tors. eta vs tors. theta energy: -9.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -102.431464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.431464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.431464 (E_RNA)
where:
Base-Base interactions energy: -43.750
where: short stacking energy: -33.810
Base-Backbone interact. energy: -0.563
local terms energy: -58.118276
where:
bonds (distance) C4'-P energy: -18.180
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -11.978
flat angles P-C4'-P energy: -10.043
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: 6, replica: 1
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -104.641966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.641966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.641966 (E_RNA)
where:
Base-Base interactions energy: -40.826
where: short stacking energy: -31.576
Base-Backbone interact. energy: -0.062
local terms energy: -63.754262
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -16.491
flat angles C4'-P-C4' energy: -14.871
flat angles P-C4'-P energy: -12.126
tors. eta vs tors. theta energy: -6.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -92.835325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.835325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.835325 (E_RNA)
where:
Base-Base interactions energy: -37.542
where: short stacking energy: -31.013
Base-Backbone interact. energy: 0.311
local terms energy: -55.603778
where:
bonds (distance) C4'-P energy: -10.980
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -13.445
flat angles P-C4'-P energy: -10.611
tors. eta vs tors. theta energy: -3.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -89.508346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.508346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.508346 (E_RNA)
where:
Base-Base interactions energy: -33.413
where: short stacking energy: -26.066
Base-Backbone interact. energy: -0.038
local terms energy: -56.057530
where:
bonds (distance) C4'-P energy: -16.101
bonds (distance) P-C4' energy: -15.307
flat angles C4'-P-C4' energy: -15.656
flat angles P-C4'-P energy: -3.772
tors. eta vs tors. theta energy: -5.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -80.257954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.257954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.257954 (E_RNA)
where:
Base-Base interactions energy: -30.605
where: short stacking energy: -30.605
Base-Backbone interact. energy: -0.458
local terms energy: -49.194855
where:
bonds (distance) C4'-P energy: -9.609
bonds (distance) P-C4' energy: -14.297
flat angles C4'-P-C4' energy: -12.787
flat angles P-C4'-P energy: -10.642
tors. eta vs tors. theta energy: -1.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -79.859950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.859950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.859950 (E_RNA)
where:
Base-Base interactions energy: -30.945
where: short stacking energy: -31.945
Base-Backbone interact. energy: 0.445
local terms energy: -49.359971
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -14.251
flat angles P-C4'-P energy: -9.150
tors. eta vs tors. theta energy: 2.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -223.375523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.375523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.375523 (E_RNA)
where:
Base-Base interactions energy: -144.632
where: short stacking energy: -65.820
Base-Backbone interact. energy: -0.002
local terms energy: -78.741677
where:
bonds (distance) C4'-P energy: -12.398
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -18.482
flat angles P-C4'-P energy: -13.660
tors. eta vs tors. theta energy: -17.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -200.684914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.684914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.684914 (E_RNA)
where:
Base-Base interactions energy: -124.989
where: short stacking energy: -66.925
Base-Backbone interact. energy: -0.234
local terms energy: -75.461394
where:
bonds (distance) C4'-P energy: -18.272
bonds (distance) P-C4' energy: -15.966
flat angles C4'-P-C4' energy: -16.793
flat angles P-C4'-P energy: -4.231
tors. eta vs tors. theta energy: -20.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -189.418592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.418592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.418592 (E_RNA)
where:
Base-Base interactions energy: -113.571
where: short stacking energy: -60.999
Base-Backbone interact. energy: -1.098
local terms energy: -74.749647
where:
bonds (distance) C4'-P energy: -10.819
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -16.656
flat angles P-C4'-P energy: -10.461
tors. eta vs tors. theta energy: -19.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -164.891598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.891598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.891598 (E_RNA)
where:
Base-Base interactions energy: -104.032
where: short stacking energy: -37.109
Base-Backbone interact. energy: -0.116
local terms energy: -60.743865
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -13.115
flat angles P-C4'-P energy: -10.812
tors. eta vs tors. theta energy: -8.880
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: 5, replica: 7
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -119.831393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.831393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.831393 (E_RNA)
where:
Base-Base interactions energy: -64.430
where: short stacking energy: -45.263
Base-Backbone interact. energy: -0.073
local terms energy: -55.328496
where:
bonds (distance) C4'-P energy: -9.201
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -9.943
tors. eta vs tors. theta energy: -5.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -111.754832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.754832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.754832 (E_RNA)
where:
Base-Base interactions energy: -54.738
where: short stacking energy: -43.557
Base-Backbone interact. energy: -0.441
local terms energy: -56.575748
where:
bonds (distance) C4'-P energy: -13.749
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -10.966
flat angles P-C4'-P energy: -7.838
tors. eta vs tors. theta energy: -6.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -99.374204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.374204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.374204 (E_RNA)
where:
Base-Base interactions energy: -45.757
where: short stacking energy: -35.717
Base-Backbone interact. energy: -0.871
local terms energy: -52.745959
where:
bonds (distance) C4'-P energy: -14.689
bonds (distance) P-C4' energy: -10.490
flat angles C4'-P-C4' energy: -7.849
flat angles P-C4'-P energy: -13.387
tors. eta vs tors. theta energy: -6.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -87.186703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.186703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.186703 (E_RNA)
where:
Base-Base interactions energy: -40.043
where: short stacking energy: -28.336
Base-Backbone interact. energy: -0.255
local terms energy: -46.889003
where:
bonds (distance) C4'-P energy: -14.748
bonds (distance) P-C4' energy: -14.347
flat angles C4'-P-C4' energy: -16.622
flat angles P-C4'-P energy: -0.393
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)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -93.834345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.834345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.834345 (E_RNA)
where:
Base-Base interactions energy: -47.161
where: short stacking energy: -36.031
Base-Backbone interact. energy: -0.194
local terms energy: -46.479607
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -10.026
flat angles C4'-P-C4' energy: -8.720
flat angles P-C4'-P energy: -9.429
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: 10, replica: 10
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -78.515056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.515056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.515056 (E_RNA)
where:
Base-Base interactions energy: -33.840
where: short stacking energy: -33.840
Base-Backbone interact. energy: -0.046
local terms energy: -44.628972
where:
bonds (distance) C4'-P energy: -10.753
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -9.893
flat angles P-C4'-P energy: -5.967
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: 1, replica: 2
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -202.177374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.177374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.177374 (E_RNA)
where:
Base-Base interactions energy: -126.275
where: short stacking energy: -70.628
Base-Backbone interact. energy: -0.002
local terms energy: -75.899565
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -11.860
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: 2, replica: 3
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -211.037069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.037069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.037069 (E_RNA)
where:
Base-Base interactions energy: -130.977
where: short stacking energy: -68.774
Base-Backbone interact. energy: -0.316
local terms energy: -79.744114
where:
bonds (distance) C4'-P energy: -11.685
bonds (distance) P-C4' energy: -15.190
flat angles C4'-P-C4' energy: -17.522
flat angles P-C4'-P energy: -11.884
tors. eta vs tors. theta energy: -23.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -193.889630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.889630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.889630 (E_RNA)
where:
Base-Base interactions energy: -122.065
where: short stacking energy: -57.954
Base-Backbone interact. energy: -0.259
local terms energy: -71.566223
where:
bonds (distance) C4'-P energy: -15.534
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -15.676
flat angles P-C4'-P energy: -8.768
tors. eta vs tors. theta energy: -15.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -186.020862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.020862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.020862 (E_RNA)
where:
Base-Base interactions energy: -118.061
where: short stacking energy: -53.973
Base-Backbone interact. energy: -0.250
local terms energy: -67.710336
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -14.718
flat angles C4'-P-C4' energy: -14.307
flat angles P-C4'-P energy: -9.703
tors. eta vs tors. theta energy: -14.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -104.789958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.789958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.789958 (E_RNA)
where:
Base-Base interactions energy: -46.560
where: short stacking energy: -45.869
Base-Backbone interact. energy: -0.937
local terms energy: -57.293151
where:
bonds (distance) C4'-P energy: -9.039
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -9.900
flat angles P-C4'-P energy: -13.563
tors. eta vs tors. theta energy: -7.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -102.943798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.943798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.943798 (E_RNA)
where:
Base-Base interactions energy: -48.262
where: short stacking energy: -36.374
Base-Backbone interact. energy: -0.299
local terms energy: -54.383187
where:
bonds (distance) C4'-P energy: -11.866
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -10.770
flat angles P-C4'-P energy: -11.208
tors. eta vs tors. theta energy: -5.518
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: 7, replica: 9
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -85.953113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.953113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.953113 (E_RNA)
where:
Base-Base interactions energy: -35.044
where: short stacking energy: -30.732
Base-Backbone interact. energy: -0.223
local terms energy: -50.686168
where:
bonds (distance) C4'-P energy: -10.062
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -14.680
flat angles P-C4'-P energy: -6.550
tors. eta vs tors. theta energy: -3.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -82.448780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.448780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.448780 (E_RNA)
where:
Base-Base interactions energy: -27.504
where: short stacking energy: -27.504
Base-Backbone interact. energy: -0.552
local terms energy: -54.393092
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -5.472
tors. eta vs tors. theta energy: -6.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -91.724532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.724532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.724532 (E_RNA)
where:
Base-Base interactions energy: -37.840
where: short stacking energy: -29.807
Base-Backbone interact. energy: -0.116
local terms energy: -53.769315
where:
bonds (distance) C4'-P energy: -11.360
bonds (distance) P-C4' energy: -17.078
flat angles C4'-P-C4' energy: -13.789
flat angles P-C4'-P energy: -9.334
tors. eta vs tors. theta energy: -2.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -73.980863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.980863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.980863 (E_RNA)
where:
Base-Base interactions energy: -21.121
where: short stacking energy: -20.480
Base-Backbone interact. energy: -0.035
local terms energy: -52.824815
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -9.464
flat angles P-C4'-P energy: -10.337
tors. eta vs tors. theta energy: -1.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -218.216253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.216253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.216253 (E_RNA)
where:
Base-Base interactions energy: -138.976
where: short stacking energy: -73.223
Base-Backbone interact. energy: -0.021
local terms energy: -79.219209
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -16.557
flat angles P-C4'-P energy: -11.674
tors. eta vs tors. theta energy: -17.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -214.019699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.019699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.019699 (E_RNA)
where:
Base-Base interactions energy: -133.411
where: short stacking energy: -64.368
Base-Backbone interact. energy: -0.539
local terms energy: -80.069907
where:
bonds (distance) C4'-P energy: -18.383
bonds (distance) P-C4' energy: -16.605
flat angles C4'-P-C4' energy: -15.194
flat angles P-C4'-P energy: -10.139
tors. eta vs tors. theta energy: -19.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -177.546430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.546430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.546430 (E_RNA)
where:
Base-Base interactions energy: -110.272
where: short stacking energy: -56.914
Base-Backbone interact. energy: -0.004
local terms energy: -67.270665
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -14.866
flat angles C4'-P-C4' energy: -16.461
flat angles P-C4'-P energy: -7.610
tors. eta vs tors. theta energy: -14.943
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: 4, replica: 4
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -188.005019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.005019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.005019 (E_RNA)
where:
Base-Base interactions energy: -123.015
where: short stacking energy: -59.589
Base-Backbone interact. energy: -0.165
local terms energy: -64.824693
where:
bonds (distance) C4'-P energy: -9.917
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -8.528
tors. eta vs tors. theta energy: -17.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -101.709305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.709305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.709305 (E_RNA)
where:
Base-Base interactions energy: -46.687
where: short stacking energy: -32.986
Base-Backbone interact. energy: -0.611
local terms energy: -54.411272
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -12.996
flat angles C4'-P-C4' energy: -14.352
flat angles P-C4'-P energy: -7.788
tors. eta vs tors. theta energy: -4.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -125.224997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.224997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.224997 (E_RNA)
where:
Base-Base interactions energy: -62.655
where: short stacking energy: -38.085
Base-Backbone interact. energy: -1.738
local terms energy: -60.832182
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -13.922
flat angles P-C4'-P energy: -10.551
tors. eta vs tors. theta energy: -9.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -82.117016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.117016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.117016 (E_RNA)
where:
Base-Base interactions energy: -26.980
where: short stacking energy: -26.980
Base-Backbone interact. energy: -0.117
local terms energy: -55.019598
where:
bonds (distance) C4'-P energy: -8.777
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -14.026
flat angles P-C4'-P energy: -8.970
tors. eta vs tors. theta energy: -6.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -97.615806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.615806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.615806 (E_RNA)
where:
Base-Base interactions energy: -41.920
where: short stacking energy: -34.227
Base-Backbone interact. energy: -0.060
local terms energy: -55.636429
where:
bonds (distance) C4'-P energy: -11.619
bonds (distance) P-C4' energy: -13.447
flat angles C4'-P-C4' energy: -14.466
flat angles P-C4'-P energy: -9.209
tors. eta vs tors. theta energy: -6.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -80.647372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.647372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.647372 (E_RNA)
where:
Base-Base interactions energy: -30.824
where: short stacking energy: -30.747
Base-Backbone interact. energy: -0.288
local terms energy: -49.534741
where:
bonds (distance) C4'-P energy: -12.547
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -9.909
flat angles P-C4'-P energy: -7.580
tors. eta vs tors. theta energy: -4.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -72.804444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.804444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.804444 (E_RNA)
where:
Base-Base interactions energy: -31.214
where: short stacking energy: -21.771
Base-Backbone interact. energy: -0.696
local terms energy: -40.894296
where:
bonds (distance) C4'-P energy: -10.161
bonds (distance) P-C4' energy: -15.877
flat angles C4'-P-C4' energy: -10.101
flat angles P-C4'-P energy: -5.672
tors. eta vs tors. theta energy: 0.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -215.236979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.236979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.236979 (E_RNA)
where:
Base-Base interactions energy: -148.163
where: short stacking energy: -69.955
Base-Backbone interact. energy: -0.050
local terms energy: -67.023628
where:
bonds (distance) C4'-P energy: -16.573
bonds (distance) P-C4' energy: -16.083
flat angles C4'-P-C4' energy: -10.571
flat angles P-C4'-P energy: -8.044
tors. eta vs tors. theta energy: -15.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -210.490600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.490600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.490600 (E_RNA)
where:
Base-Base interactions energy: -136.506
where: short stacking energy: -68.625
Base-Backbone interact. energy: -0.023
local terms energy: -73.960975
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -14.601
flat angles P-C4'-P energy: -9.985
tors. eta vs tors. theta energy: -22.255
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: 4
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -188.314398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.314398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.314398 (E_RNA)
where:
Base-Base interactions energy: -122.684
where: short stacking energy: -53.595
Base-Backbone interact. energy: -0.038
local terms energy: -65.592684
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -16.184
flat angles P-C4'-P energy: -6.167
tors. eta vs tors. theta energy: -13.347
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: 8
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -173.799455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.799455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.799455 (E_RNA)
where:
Base-Base interactions energy: -109.502
where: short stacking energy: -53.908
Base-Backbone interact. energy: -0.116
local terms energy: -64.181276
where:
bonds (distance) C4'-P energy: -14.700
bonds (distance) P-C4' energy: -12.998
flat angles C4'-P-C4' energy: -14.121
flat angles P-C4'-P energy: -9.953
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: 5, replica: 9
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -113.528149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.528149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.528149 (E_RNA)
where:
Base-Base interactions energy: -54.335
where: short stacking energy: -38.894
Base-Backbone interact. energy: -0.201
local terms energy: -58.992237
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -11.940
flat angles P-C4'-P energy: -9.487
tors. eta vs tors. theta energy: -7.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -97.357784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.357784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.357784 (E_RNA)
where:
Base-Base interactions energy: -44.007
where: short stacking energy: -44.007
Base-Backbone interact. energy: -0.007
local terms energy: -53.344163
where:
bonds (distance) C4'-P energy: -11.852
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -15.222
flat angles P-C4'-P energy: -3.120
tors. eta vs tors. theta energy: -7.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -117.279744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.279744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.279744 (E_RNA)
where:
Base-Base interactions energy: -60.877
where: short stacking energy: -31.336
Base-Backbone interact. energy: -0.227
local terms energy: -56.175634
where:
bonds (distance) C4'-P energy: -9.351
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -12.367
flat angles P-C4'-P energy: -9.757
tors. eta vs tors. theta energy: -5.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -84.194967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.194967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.194967 (E_RNA)
where:
Base-Base interactions energy: -31.377
where: short stacking energy: -31.377
Base-Backbone interact. energy: 3.578
local terms energy: -56.396209
where:
bonds (distance) C4'-P energy: -11.871
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -14.973
flat angles P-C4'-P energy: -8.088
tors. eta vs tors. theta energy: -6.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -88.487987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.487987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.487987 (E_RNA)
where:
Base-Base interactions energy: -24.628
where: short stacking energy: -22.695
Base-Backbone interact. energy: -0.121
local terms energy: -63.739618
where:
bonds (distance) C4'-P energy: -15.901
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -15.934
flat angles P-C4'-P energy: -9.520
tors. eta vs tors. theta energy: -4.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -74.637252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.637252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.637252 (E_RNA)
where:
Base-Base interactions energy: -27.956
where: short stacking energy: -25.331
Base-Backbone interact. energy: -0.200
local terms energy: -46.481562
where:
bonds (distance) C4'-P energy: -11.490
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -12.172
flat angles P-C4'-P energy: -7.194
tors. eta vs tors. theta energy: -0.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -207.936596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.936596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.936596 (E_RNA)
where:
Base-Base interactions energy: -142.406
where: short stacking energy: -63.268
Base-Backbone interact. energy: -0.039
local terms energy: -65.491189
where:
bonds (distance) C4'-P energy: -12.284
bonds (distance) P-C4' energy: -16.656
flat angles C4'-P-C4' energy: -13.561
flat angles P-C4'-P energy: -8.257
tors. eta vs tors. theta energy: -14.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -216.385453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.385453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.385453 (E_RNA)
where:
Base-Base interactions energy: -135.088
where: short stacking energy: -61.967
Base-Backbone interact. energy: 0.405
local terms energy: -81.702241
where:
bonds (distance) C4'-P energy: -16.964
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -16.936
flat angles P-C4'-P energy: -11.447
tors. eta vs tors. theta energy: -20.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -202.348633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.348633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.348633 (E_RNA)
where:
Base-Base interactions energy: -132.807
where: short stacking energy: -56.331
Base-Backbone interact. energy: -0.349
local terms energy: -69.192564
where:
bonds (distance) C4'-P energy: -14.191
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -14.408
flat angles P-C4'-P energy: -7.392
tors. eta vs tors. theta energy: -16.109
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: 8
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -166.258275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.258275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.258275 (E_RNA)
where:
Base-Base interactions energy: -97.636
where: short stacking energy: -56.244
Base-Backbone interact. energy: -0.058
local terms energy: -68.563713
where:
bonds (distance) C4'-P energy: -13.206
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -13.688
flat angles P-C4'-P energy: -10.710
tors. eta vs tors. theta energy: -14.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -151.409777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.409777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.409777 (E_RNA)
where:
Base-Base interactions energy: -91.070
where: short stacking energy: -50.630
Base-Backbone interact. energy: -0.818
local terms energy: -59.520836
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -12.193
flat angles C4'-P-C4' energy: -14.710
flat angles P-C4'-P energy: -6.984
tors. eta vs tors. theta energy: -9.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -117.804359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.804359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.804359 (E_RNA)
where:
Base-Base interactions energy: -61.367
where: short stacking energy: -43.047
Base-Backbone interact. energy: 1.305
local terms energy: -57.743124
where:
bonds (distance) C4'-P energy: -15.137
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -7.551
flat angles P-C4'-P energy: -11.165
tors. eta vs tors. theta energy: -8.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -114.391359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.391359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.391359 (E_RNA)
where:
Base-Base interactions energy: -46.785
where: short stacking energy: -46.785
Base-Backbone interact. energy: -0.000
local terms energy: -67.606234
where:
bonds (distance) C4'-P energy: -9.851
bonds (distance) P-C4' energy: -15.310
flat angles C4'-P-C4' energy: -14.135
flat angles P-C4'-P energy: -11.407
tors. eta vs tors. theta energy: -16.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -99.966759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.966759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.966759 (E_RNA)
where:
Base-Base interactions energy: -45.273
where: short stacking energy: -40.618
Base-Backbone interact. energy: -0.004
local terms energy: -54.688861
where:
bonds (distance) C4'-P energy: -11.189
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -10.687
flat angles P-C4'-P energy: -7.926
tors. eta vs tors. theta energy: -9.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -88.897287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.897287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.897287 (E_RNA)
where:
Base-Base interactions energy: -31.711
where: short stacking energy: -30.767
Base-Backbone interact. energy: -1.644
local terms energy: -55.541520
where:
bonds (distance) C4'-P energy: -16.973
bonds (distance) P-C4' energy: -17.027
flat angles C4'-P-C4' energy: -13.352
flat angles P-C4'-P energy: -1.647
tors. eta vs tors. theta energy: -6.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -79.077270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.077270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.077270 (E_RNA)
where:
Base-Base interactions energy: -35.494
where: short stacking energy: -27.340
Base-Backbone interact. energy: 0.205
local terms energy: -43.787820
where:
bonds (distance) C4'-P energy: -10.773
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -10.404
flat angles P-C4'-P energy: -4.381
tors. eta vs tors. theta energy: -1.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -204.207589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.207589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.207589 (E_RNA)
where:
Base-Base interactions energy: -130.312
where: short stacking energy: -66.060
Base-Backbone interact. energy: -0.212
local terms energy: -73.683443
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -17.114
flat angles C4'-P-C4' energy: -14.317
flat angles P-C4'-P energy: -10.507
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: 2, replica: 3
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -215.616195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.616195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.616195 (E_RNA)
where:
Base-Base interactions energy: -130.260
where: short stacking energy: -62.732
Base-Backbone interact. energy: -0.048
local terms energy: -85.308276
where:
bonds (distance) C4'-P energy: -17.949
bonds (distance) P-C4' energy: -17.789
flat angles C4'-P-C4' energy: -17.565
flat angles P-C4'-P energy: -10.863
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: 3, replica: 8
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -179.050099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.050099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.050099 (E_RNA)
where:
Base-Base interactions energy: -107.951
where: short stacking energy: -62.902
Base-Backbone interact. energy: -0.018
local terms energy: -71.081665
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -15.559
flat angles C4'-P-C4' energy: -18.046
flat angles P-C4'-P energy: -7.192
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: 4, replica: 4
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -198.762766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.762766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.762766 (E_RNA)
where:
Base-Base interactions energy: -134.535
where: short stacking energy: -47.630
Base-Backbone interact. energy: -0.778
local terms energy: -63.449604
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -11.992
flat angles P-C4'-P energy: -10.512
tors. eta vs tors. theta energy: -13.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -153.086897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.086897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.086897 (E_RNA)
where:
Base-Base interactions energy: -96.100
where: short stacking energy: -54.660
Base-Backbone interact. energy: -0.511
local terms energy: -56.475414
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -13.278
flat angles C4'-P-C4' energy: -10.360
flat angles P-C4'-P energy: -9.647
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: 5
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -105.292935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.292935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.292935 (E_RNA)
where:
Base-Base interactions energy: -44.181
where: short stacking energy: -44.181
Base-Backbone interact. energy: -0.037
local terms energy: -61.075053
where:
bonds (distance) C4'-P energy: -11.926
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -16.684
flat angles P-C4'-P energy: -7.799
tors. eta vs tors. theta energy: -9.933
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: 7
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -87.135358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.135358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.135358 (E_RNA)
where:
Base-Base interactions energy: -35.809
where: short stacking energy: -33.591
Base-Backbone interact. energy: 0.175
local terms energy: -51.501422
where:
bonds (distance) C4'-P energy: -11.995
bonds (distance) P-C4' energy: -11.735
flat angles C4'-P-C4' energy: -12.204
flat angles P-C4'-P energy: -7.011
tors. eta vs tors. theta energy: -8.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -85.665318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.665318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.665318 (E_RNA)
where:
Base-Base interactions energy: -34.878
where: short stacking energy: -20.912
Base-Backbone interact. energy: -0.358
local terms energy: -50.428896
where:
bonds (distance) C4'-P energy: -9.709
bonds (distance) P-C4' energy: -11.825
flat angles C4'-P-C4' energy: -12.007
flat angles P-C4'-P energy: -10.671
tors. eta vs tors. theta energy: -6.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -93.990940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.990940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.990940 (E_RNA)
where:
Base-Base interactions energy: -49.481
where: short stacking energy: -29.744
Base-Backbone interact. energy: -0.176
local terms energy: -44.334107
where:
bonds (distance) C4'-P energy: -10.696
bonds (distance) P-C4' energy: -12.558
flat angles C4'-P-C4' energy: -10.968
flat angles P-C4'-P energy: -7.545
tors. eta vs tors. theta energy: -2.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -79.895548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.895548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.895548 (E_RNA)
where:
Base-Base interactions energy: -29.937
where: short stacking energy: -29.919
Base-Backbone interact. energy: 1.142
local terms energy: -51.100828
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -14.487
flat angles C4'-P-C4' energy: -10.037
flat angles P-C4'-P energy: -9.495
tors. eta vs tors. theta energy: -4.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -206.860449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.860449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.860449 (E_RNA)
where:
Base-Base interactions energy: -133.593
where: short stacking energy: -58.775
Base-Backbone interact. energy: -0.008
local terms energy: -73.259624
where:
bonds (distance) C4'-P energy: -14.842
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -14.672
flat angles P-C4'-P energy: -10.925
tors. eta vs tors. theta energy: -15.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -218.897730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.897730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.897730 (E_RNA)
where:
Base-Base interactions energy: -135.751
where: short stacking energy: -64.805
Base-Backbone interact. energy: -0.010
local terms energy: -83.136889
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -16.019
flat angles C4'-P-C4' energy: -15.257
flat angles P-C4'-P energy: -14.424
tors. eta vs tors. theta energy: -20.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -166.064614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.064614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.064614 (E_RNA)
where:
Base-Base interactions energy: -97.527
where: short stacking energy: -49.313
Base-Backbone interact. energy: -1.010
local terms energy: -67.527647
where:
bonds (distance) C4'-P energy: -15.440
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -9.802
flat angles P-C4'-P energy: -12.817
tors. eta vs tors. theta energy: -12.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -197.862386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.862386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.862386 (E_RNA)
where:
Base-Base interactions energy: -133.378
where: short stacking energy: -46.909
Base-Backbone interact. energy: -0.023
local terms energy: -64.461401
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -14.041
flat angles C4'-P-C4' energy: -12.199
flat angles P-C4'-P energy: -12.063
tors. eta vs tors. theta energy: -11.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -174.542125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.542125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.542125 (E_RNA)
where:
Base-Base interactions energy: -116.906
where: short stacking energy: -61.225
Base-Backbone interact. energy: -0.240
local terms energy: -57.396691
where:
bonds (distance) C4'-P energy: -15.049
bonds (distance) P-C4' energy: -12.931
flat angles C4'-P-C4' energy: -11.566
flat angles P-C4'-P energy: -4.971
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: 6, replica: 7
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -92.266941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.266941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.266941 (E_RNA)
where:
Base-Base interactions energy: -41.024
where: short stacking energy: -34.539
Base-Backbone interact. energy: -0.005
local terms energy: -51.238525
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -11.593
flat angles C4'-P-C4' energy: -12.659
flat angles P-C4'-P energy: -4.098
tors. eta vs tors. theta energy: -9.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -82.056419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.056419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.056419 (E_RNA)
where:
Base-Base interactions energy: -36.245
where: short stacking energy: -28.806
Base-Backbone interact. energy: 0.309
local terms energy: -46.120727
where:
bonds (distance) C4'-P energy: -8.258
bonds (distance) P-C4' energy: -13.954
flat angles C4'-P-C4' energy: -14.784
flat angles P-C4'-P energy: -5.194
tors. eta vs tors. theta energy: -3.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -92.425800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.425800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.425800 (E_RNA)
where:
Base-Base interactions energy: -38.286
where: short stacking energy: -38.286
Base-Backbone interact. energy: -0.123
local terms energy: -54.016755
where:
bonds (distance) C4'-P energy: -9.801
bonds (distance) P-C4' energy: -12.411
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -7.731
tors. eta vs tors. theta energy: -8.984
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: 1
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -98.624265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.624265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.624265 (E_RNA)
where:
Base-Base interactions energy: -60.363
where: short stacking energy: -37.875
Base-Backbone interact. energy: 1.834
local terms energy: -40.095994
where:
bonds (distance) C4'-P energy: -10.337
bonds (distance) P-C4' energy: -5.748
flat angles C4'-P-C4' energy: -15.880
flat angles P-C4'-P energy: -5.961
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: 6
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -84.042442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.042442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.042442 (E_RNA)
where:
Base-Base interactions energy: -36.936
where: short stacking energy: -36.936
Base-Backbone interact. energy: -0.173
local terms energy: -46.933811
where:
bonds (distance) C4'-P energy: -12.810
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -8.516
flat angles P-C4'-P energy: -8.217
tors. eta vs tors. theta energy: -4.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -216.959621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.959621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.959621 (E_RNA)
where:
Base-Base interactions energy: -143.192
where: short stacking energy: -69.372
Base-Backbone interact. energy: -0.365
local terms energy: -73.402007
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -12.829
flat angles C4'-P-C4' energy: -18.238
flat angles P-C4'-P energy: -7.397
tors. eta vs tors. theta energy: -21.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -213.833985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.833985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.833985 (E_RNA)
where:
Base-Base interactions energy: -138.932
where: short stacking energy: -61.123
Base-Backbone interact. energy: -0.039
local terms energy: -74.862364
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -14.157
flat angles C4'-P-C4' energy: -14.687
flat angles P-C4'-P energy: -13.686
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: 3, replica: 8
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -189.697387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.697387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.697387 (E_RNA)
where:
Base-Base interactions energy: -129.357
where: short stacking energy: -67.975
Base-Backbone interact. energy: -0.001
local terms energy: -60.338769
where:
bonds (distance) C4'-P energy: -10.816
bonds (distance) P-C4' energy: -13.414
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -8.073
tors. eta vs tors. theta energy: -13.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -178.963279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.963279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.963279 (E_RNA)
where:
Base-Base interactions energy: -115.871
where: short stacking energy: -43.701
Base-Backbone interact. energy: -0.617
local terms energy: -62.475145
where:
bonds (distance) C4'-P energy: -17.121
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -16.371
flat angles P-C4'-P energy: -10.306
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: 5, replica: 9
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -167.602714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.602714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.602714 (E_RNA)
where:
Base-Base interactions energy: -100.774
where: short stacking energy: -44.405
Base-Backbone interact. energy: 0.086
local terms energy: -66.914716
where:
bonds (distance) C4'-P energy: -18.085
bonds (distance) P-C4' energy: -16.298
flat angles C4'-P-C4' energy: -11.998
flat angles P-C4'-P energy: -7.861
tors. eta vs tors. theta energy: -12.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -98.859956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.859956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.859956 (E_RNA)
where:
Base-Base interactions energy: -42.794
where: short stacking energy: -29.020
Base-Backbone interact. energy: -0.027
local terms energy: -56.038856
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -12.615
flat angles P-C4'-P energy: -8.189
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: 7, replica: 10
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -92.287795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.287795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.287795 (E_RNA)
where:
Base-Base interactions energy: -35.703
where: short stacking energy: -35.703
Base-Backbone interact. energy: -0.051
local terms energy: -56.534545
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -14.009
flat angles C4'-P-C4' energy: -17.092
flat angles P-C4'-P energy: -7.884
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: 8, replica: 5
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -86.122875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.122875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.122875 (E_RNA)
where:
Base-Base interactions energy: -29.184
where: short stacking energy: -29.184
Base-Backbone interact. energy: -0.199
local terms energy: -56.739584
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -10.684
flat angles P-C4'-P energy: -8.576
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)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -103.542886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.542886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.542886 (E_RNA)
where:
Base-Base interactions energy: -55.667
where: short stacking energy: -41.152
Base-Backbone interact. energy: -0.544
local terms energy: -47.331417
where:
bonds (distance) C4'-P energy: -11.594
bonds (distance) P-C4' energy: -10.012
flat angles C4'-P-C4' energy: -12.365
flat angles P-C4'-P energy: -9.814
tors. eta vs tors. theta energy: -3.547
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: 1
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -97.247950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.247950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.247950 (E_RNA)
where:
Base-Base interactions energy: -46.781
where: short stacking energy: -36.988
Base-Backbone interact. energy: -0.005
local terms energy: -50.461120
where:
bonds (distance) C4'-P energy: -6.686
bonds (distance) P-C4' energy: -12.002
flat angles C4'-P-C4' energy: -14.294
flat angles P-C4'-P energy: -9.404
tors. eta vs tors. theta energy: -8.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -225.930953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.930953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.930953 (E_RNA)
where:
Base-Base interactions energy: -141.599
where: short stacking energy: -59.857
Base-Backbone interact. energy: -0.870
local terms energy: -83.461898
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -16.917
flat angles P-C4'-P energy: -11.380
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: 2, replica: 2
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -209.230449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.230449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.230449 (E_RNA)
where:
Base-Base interactions energy: -137.092
where: short stacking energy: -60.300
Base-Backbone interact. energy: -0.381
local terms energy: -71.757338
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -13.706
flat angles C4'-P-C4' energy: -16.806
flat angles P-C4'-P energy: -8.172
tors. eta vs tors. theta energy: -17.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -188.651843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.651843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.651843 (E_RNA)
where:
Base-Base interactions energy: -124.552
where: short stacking energy: -59.680
Base-Backbone interact. energy: -0.003
local terms energy: -64.096915
where:
bonds (distance) C4'-P energy: -14.830
bonds (distance) P-C4' energy: -12.309
flat angles C4'-P-C4' energy: -11.644
flat angles P-C4'-P energy: -10.984
tors. eta vs tors. theta energy: -14.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -182.656008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.656008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.656008 (E_RNA)
where:
Base-Base interactions energy: -115.705
where: short stacking energy: -56.160
Base-Backbone interact. energy: -0.009
local terms energy: -66.941740
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -13.781
flat angles C4'-P-C4' energy: -13.009
flat angles P-C4'-P energy: -9.554
tors. eta vs tors. theta energy: -17.274
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: 439
Temperature: 1.100000
Total energy: -192.919857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.919857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.919857 (E_RNA)
where:
Base-Base interactions energy: -128.839
where: short stacking energy: -57.844
Base-Backbone interact. energy: -0.286
local terms energy: -63.794649
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -6.601
tors. eta vs tors. theta energy: -14.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -94.354676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.354676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.354676 (E_RNA)
where:
Base-Base interactions energy: -35.292
where: short stacking energy: -28.683
Base-Backbone interact. energy: 0.671
local terms energy: -59.732950
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -18.902
flat angles C4'-P-C4' energy: -13.302
flat angles P-C4'-P energy: -8.588
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: 7
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -106.676550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.676550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.676550 (E_RNA)
where:
Base-Base interactions energy: -51.159
where: short stacking energy: -40.115
Base-Backbone interact. energy: -0.349
local terms energy: -55.168501
where:
bonds (distance) C4'-P energy: -13.595
bonds (distance) P-C4' energy: -14.810
flat angles C4'-P-C4' energy: -14.235
flat angles P-C4'-P energy: -4.420
tors. eta vs tors. theta energy: -8.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -87.928917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.928917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.928917 (E_RNA)
where:
Base-Base interactions energy: -41.667
where: short stacking energy: -26.810
Base-Backbone interact. energy: 0.697
local terms energy: -46.959309
where:
bonds (distance) C4'-P energy: -11.755
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -13.998
flat angles P-C4'-P energy: -3.974
tors. eta vs tors. theta energy: -0.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -83.372925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.372925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.372925 (E_RNA)
where:
Base-Base interactions energy: -30.470
where: short stacking energy: -27.036
Base-Backbone interact. energy: -0.002
local terms energy: -52.900634
where:
bonds (distance) C4'-P energy: -10.278
bonds (distance) P-C4' energy: -15.507
flat angles C4'-P-C4' energy: -16.223
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: 0.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -76.987552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.987552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.987552 (E_RNA)
where:
Base-Base interactions energy: -38.220
where: short stacking energy: -21.946
Base-Backbone interact. energy: -0.073
local terms energy: -38.693808
where:
bonds (distance) C4'-P energy: -8.629
bonds (distance) P-C4' energy: -13.889
flat angles C4'-P-C4' energy: -9.150
flat angles P-C4'-P energy: -7.311
tors. eta vs tors. theta energy: 0.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -204.634539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.634539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.634539 (E_RNA)
where:
Base-Base interactions energy: -126.741
where: short stacking energy: -51.326
Base-Backbone interact. energy: -0.048
local terms energy: -77.844993
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -15.057
flat angles P-C4'-P energy: -12.090
tors. eta vs tors. theta energy: -19.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -214.107202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.107202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.107202 (E_RNA)
where:
Base-Base interactions energy: -131.962
where: short stacking energy: -74.554
Base-Backbone interact. energy: -1.027
local terms energy: -81.118229
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -16.757
flat angles P-C4'-P energy: -12.621
tors. eta vs tors. theta energy: -18.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -176.712047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.712047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.712047 (E_RNA)
where:
Base-Base interactions energy: -114.700
where: short stacking energy: -53.467
Base-Backbone interact. energy: -0.011
local terms energy: -62.000878
where:
bonds (distance) C4'-P energy: -13.361
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -16.530
flat angles P-C4'-P energy: -0.300
tors. eta vs tors. theta energy: -15.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -164.295603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.295603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.295603 (E_RNA)
where:
Base-Base interactions energy: -99.272
where: short stacking energy: -46.503
Base-Backbone interact. energy: -1.380
local terms energy: -63.643464
where:
bonds (distance) C4'-P energy: -11.851
bonds (distance) P-C4' energy: -13.595
flat angles C4'-P-C4' energy: -15.899
flat angles P-C4'-P energy: -11.740
tors. eta vs tors. theta energy: -10.559
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: 440
Temperature: 1.100000
Total energy: -173.687158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.687158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.687158 (E_RNA)
where:
Base-Base interactions energy: -111.523
where: short stacking energy: -52.783
Base-Backbone interact. energy: -0.105
local terms energy: -62.059173
where:
bonds (distance) C4'-P energy: -13.431
bonds (distance) P-C4' energy: -12.818
flat angles C4'-P-C4' energy: -17.041
flat angles P-C4'-P energy: -8.670
tors. eta vs tors. theta energy: -10.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -122.036183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.036183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.036183 (E_RNA)
where:
Base-Base interactions energy: -59.940
where: short stacking energy: -39.788
Base-Backbone interact. energy: -0.473
local terms energy: -61.622558
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -10.873
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: -10.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -95.542708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.542708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.542708 (E_RNA)
where:
Base-Base interactions energy: -49.780
where: short stacking energy: -33.434
Base-Backbone interact. energy: -0.519
local terms energy: -45.242983
where:
bonds (distance) C4'-P energy: -11.904
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -8.072
flat angles P-C4'-P energy: -3.944
tors. eta vs tors. theta energy: -8.322
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: 7
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -98.911482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.911482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.911482 (E_RNA)
where:
Base-Base interactions energy: -38.160
where: short stacking energy: -38.160
Base-Backbone interact. energy: -0.079
local terms energy: -60.672960
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -12.530
flat angles P-C4'-P energy: -7.591
tors. eta vs tors. theta energy: -9.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -77.522996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.522996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.522996 (E_RNA)
where:
Base-Base interactions energy: -32.605
where: short stacking energy: -30.541
Base-Backbone interact. energy: -0.518
local terms energy: -44.399615
where:
bonds (distance) C4'-P energy: -9.214
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -6.482
flat angles P-C4'-P energy: -7.796
tors. eta vs tors. theta energy: -4.299
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: 5
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -86.638048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.638048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.638048 (E_RNA)
where:
Base-Base interactions energy: -38.277
where: short stacking energy: -31.367
Base-Backbone interact. energy: -0.179
local terms energy: -48.182341
where:
bonds (distance) C4'-P energy: -9.710
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -12.665
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -0.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -212.278575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.278575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.278575 (E_RNA)
where:
Base-Base interactions energy: -136.551
where: short stacking energy: -54.516
Base-Backbone interact. energy: -0.642
local terms energy: -75.085620
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -8.000
tors. eta vs tors. theta energy: -19.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -217.186504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.186504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.186504 (E_RNA)
where:
Base-Base interactions energy: -139.014
where: short stacking energy: -60.345
Base-Backbone interact. energy: -0.349
local terms energy: -77.822694
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -15.946
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -19.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -184.433756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.433756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.433756 (E_RNA)
where:
Base-Base interactions energy: -115.617
where: short stacking energy: -56.717
Base-Backbone interact. energy: -0.094
local terms energy: -68.722263
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -16.403
flat angles P-C4'-P energy: -7.553
tors. eta vs tors. theta energy: -13.603
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: 4
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -188.611809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.611809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.611809 (E_RNA)
where:
Base-Base interactions energy: -116.239
where: short stacking energy: -54.877
Base-Backbone interact. energy: 0.840
local terms energy: -73.213391
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -15.768
flat angles C4'-P-C4' energy: -15.149
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: -16.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -181.194016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.194016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.194016 (E_RNA)
where:
Base-Base interactions energy: -107.741
where: short stacking energy: -59.254
Base-Backbone interact. energy: -0.493
local terms energy: -72.960009
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -14.805
flat angles P-C4'-P energy: -12.894
tors. eta vs tors. theta energy: -17.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -99.848779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.848779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.848779 (E_RNA)
where:
Base-Base interactions energy: -41.895
where: short stacking energy: -40.951
Base-Backbone interact. energy: -0.654
local terms energy: -57.299916
where:
bonds (distance) C4'-P energy: -15.443
bonds (distance) P-C4' energy: -11.930
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -6.881
tors. eta vs tors. theta energy: -9.797
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: 10
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -98.255494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.255494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.255494 (E_RNA)
where:
Base-Base interactions energy: -44.716
where: short stacking energy: -36.450
Base-Backbone interact. energy: -0.016
local terms energy: -53.523411
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -10.941
flat angles P-C4'-P energy: -8.390
tors. eta vs tors. theta energy: -6.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -95.466873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.466873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.466873 (E_RNA)
where:
Base-Base interactions energy: -42.875
where: short stacking energy: -42.875
Base-Backbone interact. energy: -0.057
local terms energy: -52.535174
where:
bonds (distance) C4'-P energy: -12.334
bonds (distance) P-C4' energy: -16.881
flat angles C4'-P-C4' energy: -5.160
flat angles P-C4'-P energy: -7.592
tors. eta vs tors. theta energy: -10.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -94.259164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.259164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.259164 (E_RNA)
where:
Base-Base interactions energy: -38.914
where: short stacking energy: -38.914
Base-Backbone interact. energy: -0.053
local terms energy: -55.291845
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -10.731
flat angles C4'-P-C4' energy: -11.228
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: -10.039
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: 5
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -80.457768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.457768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.457768 (E_RNA)
where:
Base-Base interactions energy: -31.614
where: short stacking energy: -31.614
Base-Backbone interact. energy: 0.292
local terms energy: -49.136169
where:
bonds (distance) C4'-P energy: -12.696
bonds (distance) P-C4' energy: -15.133
flat angles C4'-P-C4' energy: -11.755
flat angles P-C4'-P energy: -6.511
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: 1, replica: 2
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -214.650507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.650507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.650507 (E_RNA)
where:
Base-Base interactions energy: -145.346
where: short stacking energy: -60.359
Base-Backbone interact. energy: -0.135
local terms energy: -69.169005
where:
bonds (distance) C4'-P energy: -16.276
bonds (distance) P-C4' energy: -16.732
flat angles C4'-P-C4' energy: -14.512
flat angles P-C4'-P energy: -5.479
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: 2, replica: 3
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -210.600590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.600590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.600590 (E_RNA)
where:
Base-Base interactions energy: -137.009
where: short stacking energy: -60.359
Base-Backbone interact. energy: -0.695
local terms energy: -72.896266
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -14.161
flat angles C4'-P-C4' energy: -15.007
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: -18.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -179.268854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.268854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.268854 (E_RNA)
where:
Base-Base interactions energy: -104.947
where: short stacking energy: -64.970
Base-Backbone interact. energy: -0.112
local terms energy: -74.209163
where:
bonds (distance) C4'-P energy: -15.666
bonds (distance) P-C4' energy: -17.714
flat angles C4'-P-C4' energy: -17.632
flat angles P-C4'-P energy: -4.656
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: 4, replica: 4
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -184.028313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.028313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.028313 (E_RNA)
where:
Base-Base interactions energy: -132.738
where: short stacking energy: -59.125
Base-Backbone interact. energy: -0.032
local terms energy: -51.257713
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -12.293
flat angles C4'-P-C4' energy: -10.676
flat angles P-C4'-P energy: -4.736
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: 5, replica: 9
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -161.976959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.976959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.976959 (E_RNA)
where:
Base-Base interactions energy: -99.848
where: short stacking energy: -56.327
Base-Backbone interact. energy: -0.004
local terms energy: -62.125002
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -16.494
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -6.696
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: 6, replica: 6
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -102.063892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.063892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.063892 (E_RNA)
where:
Base-Base interactions energy: -45.195
where: short stacking energy: -45.195
Base-Backbone interact. energy: -0.188
local terms energy: -56.681348
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -13.338
flat angles C4'-P-C4' energy: -11.799
flat angles P-C4'-P energy: -7.167
tors. eta vs tors. theta energy: -11.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -89.955784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.955784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.955784 (E_RNA)
where:
Base-Base interactions energy: -31.974
where: short stacking energy: -29.918
Base-Backbone interact. energy: -0.884
local terms energy: -57.097636
where:
bonds (distance) C4'-P energy: -13.571
bonds (distance) P-C4' energy: -9.966
flat angles C4'-P-C4' energy: -15.046
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: -9.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -76.628380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.628380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.628380 (E_RNA)
where:
Base-Base interactions energy: -26.049
where: short stacking energy: -24.547
Base-Backbone interact. energy: -0.067
local terms energy: -50.512066
where:
bonds (distance) C4'-P energy: -10.181
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -14.685
flat angles P-C4'-P energy: -10.148
tors. eta vs tors. theta energy: 0.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -76.963538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.963538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.963538 (E_RNA)
where:
Base-Base interactions energy: -27.657
where: short stacking energy: -24.702
Base-Backbone interact. energy: -0.121
local terms energy: -49.185364
where:
bonds (distance) C4'-P energy: -8.358
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -12.677
flat angles P-C4'-P energy: -11.123
tors. eta vs tors. theta energy: -1.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -74.575864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.575864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.575864 (E_RNA)
where:
Base-Base interactions energy: -24.273
where: short stacking energy: -23.056
Base-Backbone interact. energy: -0.206
local terms energy: -50.097299
where:
bonds (distance) C4'-P energy: -12.131
bonds (distance) P-C4' energy: -10.237
flat angles C4'-P-C4' energy: -13.264
flat angles P-C4'-P energy: -10.420
tors. eta vs tors. theta energy: -4.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -210.147506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.147506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.147506 (E_RNA)
where:
Base-Base interactions energy: -139.770
where: short stacking energy: -65.595
Base-Backbone interact. energy: -0.022
local terms energy: -70.354828
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -14.333
flat angles C4'-P-C4' energy: -14.920
flat angles P-C4'-P energy: -9.415
tors. eta vs tors. theta energy: -15.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -204.205519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.205519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.205519 (E_RNA)
where:
Base-Base interactions energy: -130.728
where: short stacking energy: -65.815
Base-Backbone interact. energy: -0.292
local terms energy: -73.185439
where:
bonds (distance) C4'-P energy: -17.675
bonds (distance) P-C4' energy: -15.197
flat angles C4'-P-C4' energy: -14.645
flat angles P-C4'-P energy: -10.151
tors. eta vs tors. theta energy: -15.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -219.316557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.316557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.316557 (E_RNA)
where:
Base-Base interactions energy: -139.487
where: short stacking energy: -77.710
Base-Backbone interact. energy: -0.538
local terms energy: -79.291590
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -16.923
flat angles C4'-P-C4' energy: -13.707
flat angles P-C4'-P energy: -10.889
tors. eta vs tors. theta energy: -22.585
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: 9
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -167.030631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.030631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.030631 (E_RNA)
where:
Base-Base interactions energy: -96.691
where: short stacking energy: -53.814
Base-Backbone interact. energy: -0.049
local terms energy: -70.291325
where:
bonds (distance) C4'-P energy: -18.751
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -15.367
flat angles P-C4'-P energy: -11.118
tors. eta vs tors. theta energy: -8.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -203.131557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.131557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.131557 (E_RNA)
where:
Base-Base interactions energy: -142.893
where: short stacking energy: -56.545
Base-Backbone interact. energy: -0.470
local terms energy: -59.768368
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -9.437
flat angles C4'-P-C4' energy: -11.326
flat angles P-C4'-P energy: -9.542
tors. eta vs tors. theta energy: -13.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -89.925114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.925114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.925114 (E_RNA)
where:
Base-Base interactions energy: -39.248
where: short stacking energy: -28.815
Base-Backbone interact. energy: -1.735
local terms energy: -48.941706
where:
bonds (distance) C4'-P energy: -11.262
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -12.647
flat angles P-C4'-P energy: -5.948
tors. eta vs tors. theta energy: -5.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -98.712131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.712131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.712131 (E_RNA)
where:
Base-Base interactions energy: -50.579
where: short stacking energy: -48.456
Base-Backbone interact. energy: 0.685
local terms energy: -48.817639
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -10.589
flat angles P-C4'-P energy: -4.155
tors. eta vs tors. theta energy: -6.966
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: 8, replica: 10
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -86.394532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.394532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.394532 (E_RNA)
where:
Base-Base interactions energy: -45.757
where: short stacking energy: -27.680
Base-Backbone interact. energy: 1.168
local terms energy: -41.804942
where:
bonds (distance) C4'-P energy: -12.932
bonds (distance) P-C4' energy: -10.430
flat angles C4'-P-C4' energy: -9.486
flat angles P-C4'-P energy: -8.604
tors. eta vs tors. theta energy: -0.352
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: 5
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -76.437670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.437670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.437670 (E_RNA)
where:
Base-Base interactions energy: -25.710
where: short stacking energy: -21.885
Base-Backbone interact. energy: 2.951
local terms energy: -53.679171
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -13.194
flat angles P-C4'-P energy: -9.255
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: 443
Temperature: 1.350000
Total energy: -80.811590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.811590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.811590 (E_RNA)
where:
Base-Base interactions energy: -35.371
where: short stacking energy: -23.607
Base-Backbone interact. energy: -0.531
local terms energy: -44.910229
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -9.486
flat angles C4'-P-C4' energy: -9.008
flat angles P-C4'-P energy: -10.102
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: 1, replica: 2
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -212.623774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.623774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.623774 (E_RNA)
where:
Base-Base interactions energy: -136.433
where: short stacking energy: -68.148
Base-Backbone interact. energy: -0.002
local terms energy: -76.188762
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -17.789
flat angles C4'-P-C4' energy: -17.531
flat angles P-C4'-P energy: -6.669
tors. eta vs tors. theta energy: -18.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -209.327636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.327636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.327636 (E_RNA)
where:
Base-Base interactions energy: -142.148
where: short stacking energy: -59.382
Base-Backbone interact. energy: -0.011
local terms energy: -67.168512
where:
bonds (distance) C4'-P energy: -13.856
bonds (distance) P-C4' energy: -16.040
flat angles C4'-P-C4' energy: -12.749
flat angles P-C4'-P energy: -10.538
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: 3, replica: 3
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -211.065900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.065900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.065900 (E_RNA)
where:
Base-Base interactions energy: -139.315
where: short stacking energy: -67.224
Base-Backbone interact. energy: -0.032
local terms energy: -71.718991
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -15.051
flat angles C4'-P-C4' energy: -14.811
flat angles P-C4'-P energy: -5.858
tors. eta vs tors. theta energy: -22.475
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: 444
Temperature: 1.050000
Total energy: -179.914656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.914656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.914656 (E_RNA)
where:
Base-Base interactions energy: -123.595
where: short stacking energy: -42.010
Base-Backbone interact. energy: 0.406
local terms energy: -56.725952
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -12.987
flat angles P-C4'-P energy: -8.338
tors. eta vs tors. theta energy: -6.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -190.750713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.750713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.750713 (E_RNA)
where:
Base-Base interactions energy: -126.153
where: short stacking energy: -55.540
Base-Backbone interact. energy: -0.177
local terms energy: -64.421159
where:
bonds (distance) C4'-P energy: -11.862
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -14.682
flat angles P-C4'-P energy: -9.641
tors. eta vs tors. theta energy: -9.831
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: 6, replica: 1
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -97.069067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.069067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.069067 (E_RNA)
where:
Base-Base interactions energy: -36.511
where: short stacking energy: -36.511
Base-Backbone interact. energy: -0.102
local terms energy: -60.456156
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -7.309
tors. eta vs tors. theta energy: -6.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -95.940724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.940724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.940724 (E_RNA)
where:
Base-Base interactions energy: -46.646
where: short stacking energy: -46.646
Base-Backbone interact. energy: -0.177
local terms energy: -49.117852
where:
bonds (distance) C4'-P energy: -9.420
bonds (distance) P-C4' energy: -13.136
flat angles C4'-P-C4' energy: -12.391
flat angles P-C4'-P energy: -9.464
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: 8, replica: 6
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -90.422523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.422523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.422523 (E_RNA)
where:
Base-Base interactions energy: -37.761
where: short stacking energy: -37.761
Base-Backbone interact. energy: -0.037
local terms energy: -52.624356
where:
bonds (distance) C4'-P energy: -9.892
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -13.247
flat angles P-C4'-P energy: -10.174
tors. eta vs tors. theta energy: -5.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -88.408539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.408539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.408539 (E_RNA)
where:
Base-Base interactions energy: -36.438
where: short stacking energy: -32.675
Base-Backbone interact. energy: -0.031
local terms energy: -51.938657
where:
bonds (distance) C4'-P energy: -11.947
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -10.394
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -4.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -72.847537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.847537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.847537 (E_RNA)
where:
Base-Base interactions energy: -23.707
where: short stacking energy: -21.704
Base-Backbone interact. energy: -0.118
local terms energy: -49.023026
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -15.612
flat angles C4'-P-C4' energy: -11.994
flat angles P-C4'-P energy: -7.185
tors. eta vs tors. theta energy: -0.457
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: 2
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -201.102137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.102137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.102137 (E_RNA)
where:
Base-Base interactions energy: -124.115
where: short stacking energy: -67.206
Base-Backbone interact. energy: -0.570
local terms energy: -76.417133
where:
bonds (distance) C4'-P energy: -17.550
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -15.910
flat angles P-C4'-P energy: -11.482
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: 2, replica: 3
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -211.039242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.039242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.039242 (E_RNA)
where:
Base-Base interactions energy: -134.584
where: short stacking energy: -70.006
Base-Backbone interact. energy: -0.179
local terms energy: -76.275766
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -15.077
flat angles P-C4'-P energy: -9.029
tors. eta vs tors. theta energy: -21.620
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: 8
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -196.784265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.784265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.784265 (E_RNA)
where:
Base-Base interactions energy: -129.149
where: short stacking energy: -60.427
Base-Backbone interact. energy: 0.109
local terms energy: -67.744422
where:
bonds (distance) C4'-P energy: -13.704
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -16.045
flat angles P-C4'-P energy: -9.077
tors. eta vs tors. theta energy: -12.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -163.552013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.552013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.552013 (E_RNA)
where:
Base-Base interactions energy: -99.986
where: short stacking energy: -48.112
Base-Backbone interact. energy: -0.172
local terms energy: -63.394027
where:
bonds (distance) C4'-P energy: -10.116
bonds (distance) P-C4' energy: -15.854
flat angles C4'-P-C4' energy: -13.377
flat angles P-C4'-P energy: -14.221
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: 5, replica: 9
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -164.195433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.195433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.195433 (E_RNA)
where:
Base-Base interactions energy: -114.151
where: short stacking energy: -40.880
Base-Backbone interact. energy: -0.301
local terms energy: -49.743133
where:
bonds (distance) C4'-P energy: -12.484
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -9.435
flat angles P-C4'-P energy: -8.001
tors. eta vs tors. theta energy: -2.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -97.196636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.196636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.196636 (E_RNA)
where:
Base-Base interactions energy: -50.363
where: short stacking energy: -40.611
Base-Backbone interact. energy: -0.222
local terms energy: -46.611158
where:
bonds (distance) C4'-P energy: -11.330
bonds (distance) P-C4' energy: -12.216
flat angles C4'-P-C4' energy: -7.358
flat angles P-C4'-P energy: -10.289
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: 7, replica: 1
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -90.361107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.361107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.361107 (E_RNA)
where:
Base-Base interactions energy: -33.242
where: short stacking energy: -32.304
Base-Backbone interact. energy: -0.059
local terms energy: -57.060776
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -13.156
flat angles C4'-P-C4' energy: -15.493
flat angles P-C4'-P energy: -10.072
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: 8, replica: 7
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -87.603868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.603868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.603868 (E_RNA)
where:
Base-Base interactions energy: -36.685
where: short stacking energy: -27.657
Base-Backbone interact. energy: -0.129
local terms energy: -50.789535
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -12.375
flat angles P-C4'-P energy: -5.564
tors. eta vs tors. theta energy: -4.775
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: 6
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -76.726894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.726894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.726894 (E_RNA)
where:
Base-Base interactions energy: -31.838
where: short stacking energy: -31.838
Base-Backbone interact. energy: 0.734
local terms energy: -45.622673
where:
bonds (distance) C4'-P energy: -8.770
bonds (distance) P-C4' energy: -10.243
flat angles C4'-P-C4' energy: -12.033
flat angles P-C4'-P energy: -9.576
tors. eta vs tors. theta energy: -5.000
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: 5
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -96.176974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.176974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.176974 (E_RNA)
where:
Base-Base interactions energy: -49.735
where: short stacking energy: -39.389
Base-Backbone interact. energy: -0.034
local terms energy: -46.407508
where:
bonds (distance) C4'-P energy: -13.957
bonds (distance) P-C4' energy: -7.185
flat angles C4'-P-C4' energy: -7.084
flat angles P-C4'-P energy: -8.232
tors. eta vs tors. theta energy: -9.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -219.110893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.110893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.110893 (E_RNA)
where:
Base-Base interactions energy: -146.052
where: short stacking energy: -74.832
Base-Backbone interact. energy: 0.401
local terms energy: -73.460105
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -13.471
flat angles C4'-P-C4' energy: -16.975
flat angles P-C4'-P energy: -8.475
tors. eta vs tors. theta energy: -22.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -207.043233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.043233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.043233 (E_RNA)
where:
Base-Base interactions energy: -136.654
where: short stacking energy: -57.805
Base-Backbone interact. energy: -1.009
local terms energy: -69.381063
where:
bonds (distance) C4'-P energy: -15.697
bonds (distance) P-C4' energy: -12.264
flat angles C4'-P-C4' energy: -13.408
flat angles P-C4'-P energy: -13.044
tors. eta vs tors. theta energy: -14.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -164.060008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.060008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.060008 (E_RNA)
where:
Base-Base interactions energy: -100.591
where: short stacking energy: -58.334
Base-Backbone interact. energy: -0.035
local terms energy: -63.434023
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -13.220
flat angles C4'-P-C4' energy: -15.661
flat angles P-C4'-P energy: -11.361
tors. eta vs tors. theta energy: -8.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -173.976576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.976576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.976576 (E_RNA)
where:
Base-Base interactions energy: -110.524
where: short stacking energy: -54.135
Base-Backbone interact. energy: -0.872
local terms energy: -62.580994
where:
bonds (distance) C4'-P energy: -13.532
bonds (distance) P-C4' energy: -10.549
flat angles C4'-P-C4' energy: -14.749
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -11.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -159.259398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.259398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.259398 (E_RNA)
where:
Base-Base interactions energy: -105.153
where: short stacking energy: -52.443
Base-Backbone interact. energy: -0.198
local terms energy: -53.908581
where:
bonds (distance) C4'-P energy: -7.275
bonds (distance) P-C4' energy: -9.873
flat angles C4'-P-C4' energy: -14.512
flat angles P-C4'-P energy: -11.464
tors. eta vs tors. theta energy: -10.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -95.885644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.885644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.885644 (E_RNA)
where:
Base-Base interactions energy: -45.632
where: short stacking energy: -43.574
Base-Backbone interact. energy: -0.037
local terms energy: -50.216233
where:
bonds (distance) C4'-P energy: -9.063
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -10.746
flat angles P-C4'-P energy: -9.847
tors. eta vs tors. theta energy: -4.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -106.848166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.848166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.848166 (E_RNA)
where:
Base-Base interactions energy: -48.197
where: short stacking energy: -44.863
Base-Backbone interact. energy: -0.153
local terms energy: -58.497964
where:
bonds (distance) C4'-P energy: -13.284
bonds (distance) P-C4' energy: -15.778
flat angles C4'-P-C4' energy: -11.961
flat angles P-C4'-P energy: -5.713
tors. eta vs tors. theta energy: -11.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -95.732173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.732173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.732173 (E_RNA)
where:
Base-Base interactions energy: -44.061
where: short stacking energy: -34.922
Base-Backbone interact. energy: -0.198
local terms energy: -51.472882
where:
bonds (distance) C4'-P energy: -9.097
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -15.794
flat angles P-C4'-P energy: -4.712
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: 9, replica: 5
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -99.067474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.067474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.067474 (E_RNA)
where:
Base-Base interactions energy: -48.077
where: short stacking energy: -40.690
Base-Backbone interact. energy: -0.114
local terms energy: -50.876764
where:
bonds (distance) C4'-P energy: -10.402
bonds (distance) P-C4' energy: -12.167
flat angles C4'-P-C4' energy: -15.703
flat angles P-C4'-P energy: -6.757
tors. eta vs tors. theta energy: -5.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -76.082325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.082325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.082325 (E_RNA)
where:
Base-Base interactions energy: -31.485
where: short stacking energy: -30.226
Base-Backbone interact. energy: -0.021
local terms energy: -44.575565
where:
bonds (distance) C4'-P energy: -8.833
bonds (distance) P-C4' energy: -13.628
flat angles C4'-P-C4' energy: -8.115
flat angles P-C4'-P energy: -8.153
tors. eta vs tors. theta energy: -5.846
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: 1, replica: 3
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -219.570677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.570677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.570677 (E_RNA)
where:
Base-Base interactions energy: -140.381
where: short stacking energy: -67.274
Base-Backbone interact. energy: 0.031
local terms energy: -79.220587
where:
bonds (distance) C4'-P energy: -13.422
bonds (distance) P-C4' energy: -17.156
flat angles C4'-P-C4' energy: -16.263
flat angles P-C4'-P energy: -11.070
tors. eta vs tors. theta energy: -21.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -184.982412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.982412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.982412 (E_RNA)
where:
Base-Base interactions energy: -118.890
where: short stacking energy: -63.100
Base-Backbone interact. energy: -0.279
local terms energy: -65.813017
where:
bonds (distance) C4'-P energy: -11.561
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -11.459
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: 2
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -188.158193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.158193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.158193 (E_RNA)
where:
Base-Base interactions energy: -126.625
where: short stacking energy: -47.897
Base-Backbone interact. energy: -0.056
local terms energy: -61.477245
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -9.392
flat angles P-C4'-P energy: -11.766
tors. eta vs tors. theta energy: -9.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -171.516008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.516008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.516008 (E_RNA)
where:
Base-Base interactions energy: -102.187
where: short stacking energy: -53.886
Base-Backbone interact. energy: -0.710
local terms energy: -68.618884
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -14.672
flat angles C4'-P-C4' energy: -15.705
flat angles P-C4'-P energy: -11.916
tors. eta vs tors. theta energy: -12.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -179.055227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.055227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.055227 (E_RNA)
where:
Base-Base interactions energy: -121.763
where: short stacking energy: -45.775
Base-Backbone interact. energy: 0.355
local terms energy: -57.646306
where:
bonds (distance) C4'-P energy: -13.625
bonds (distance) P-C4' energy: -13.910
flat angles C4'-P-C4' energy: -16.297
flat angles P-C4'-P energy: -5.649
tors. eta vs tors. theta energy: -8.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -91.989197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.989197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.989197 (E_RNA)
where:
Base-Base interactions energy: -38.592
where: short stacking energy: -31.311
Base-Backbone interact. energy: -0.146
local terms energy: -53.251324
where:
bonds (distance) C4'-P energy: -13.727
bonds (distance) P-C4' energy: -12.117
flat angles C4'-P-C4' energy: -14.808
flat angles P-C4'-P energy: -9.183
tors. eta vs tors. theta energy: -3.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -112.096318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.096318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.096318 (E_RNA)
where:
Base-Base interactions energy: -54.049
where: short stacking energy: -38.434
Base-Backbone interact. energy: -0.163
local terms energy: -57.884212
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -12.040
flat angles P-C4'-P energy: -7.165
tors. eta vs tors. theta energy: -5.934
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: 447
Temperature: 1.250000
Total energy: -84.260082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.260082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.260082 (E_RNA)
where:
Base-Base interactions energy: -33.779
where: short stacking energy: -31.994
Base-Backbone interact. energy: 0.452
local terms energy: -50.933365
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -13.959
flat angles P-C4'-P energy: -6.262
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: 9, replica: 7
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -93.105029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.105029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.105029 (E_RNA)
where:
Base-Base interactions energy: -35.027
where: short stacking energy: -35.027
Base-Backbone interact. energy: 0.075
local terms energy: -58.153618
where:
bonds (distance) C4'-P energy: -12.292
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -13.548
flat angles P-C4'-P energy: -8.871
tors. eta vs tors. theta energy: -8.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -85.362973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.362973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.362973 (E_RNA)
where:
Base-Base interactions energy: -35.324
where: short stacking energy: -28.216
Base-Backbone interact. energy: -0.141
local terms energy: -49.898002
where:
bonds (distance) C4'-P energy: -10.025
bonds (distance) P-C4' energy: -11.885
flat angles C4'-P-C4' energy: -12.445
flat angles P-C4'-P energy: -9.761
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: 1, replica: 3
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -217.665807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.665807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.665807 (E_RNA)
where:
Base-Base interactions energy: -135.075
where: short stacking energy: -64.813
Base-Backbone interact. energy: -1.203
local terms energy: -81.387823
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -16.055
flat angles P-C4'-P energy: -12.920
tors. eta vs tors. theta energy: -21.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -192.479066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.479066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.479066 (E_RNA)
where:
Base-Base interactions energy: -125.922
where: short stacking energy: -45.005
Base-Backbone interact. energy: -0.067
local terms energy: -66.489881
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -9.344
flat angles P-C4'-P energy: -12.064
tors. eta vs tors. theta energy: -11.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -201.939023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.939023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.939023 (E_RNA)
where:
Base-Base interactions energy: -126.483
where: short stacking energy: -64.050
Base-Backbone interact. energy: -0.025
local terms energy: -75.430674
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -12.336
flat angles C4'-P-C4' energy: -17.969
flat angles P-C4'-P energy: -12.005
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: 4, replica: 9
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -175.944088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.944088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.944088 (E_RNA)
where:
Base-Base interactions energy: -98.253
where: short stacking energy: -53.931
Base-Backbone interact. energy: -0.342
local terms energy: -77.349105
where:
bonds (distance) C4'-P energy: -14.201
bonds (distance) P-C4' energy: -17.081
flat angles C4'-P-C4' energy: -17.070
flat angles P-C4'-P energy: -12.003
tors. eta vs tors. theta energy: -16.994
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: 5, replica: 8
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -180.433607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.433607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.433607 (E_RNA)
where:
Base-Base interactions energy: -114.856
where: short stacking energy: -49.816
Base-Backbone interact. energy: -0.009
local terms energy: -65.569234
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -9.273
flat angles P-C4'-P energy: -11.349
tors. eta vs tors. theta energy: -13.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -98.190400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.190400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.190400 (E_RNA)
where:
Base-Base interactions energy: -41.305
where: short stacking energy: -33.630
Base-Backbone interact. energy: -0.260
local terms energy: -56.625293
where:
bonds (distance) C4'-P energy: -12.971
bonds (distance) P-C4' energy: -18.231
flat angles C4'-P-C4' energy: -8.927
flat angles P-C4'-P energy: -10.622
tors. eta vs tors. theta energy: -5.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -97.302252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.302252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.302252 (E_RNA)
where:
Base-Base interactions energy: -47.404
where: short stacking energy: -47.404
Base-Backbone interact. energy: -0.184
local terms energy: -49.714457
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -13.977
flat angles C4'-P-C4' energy: -8.087
flat angles P-C4'-P energy: -6.568
tors. eta vs tors. theta energy: -7.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -104.169190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.169190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.169190 (E_RNA)
where:
Base-Base interactions energy: -55.747
where: short stacking energy: -47.774
Base-Backbone interact. energy: -0.736
local terms energy: -47.686541
where:
bonds (distance) C4'-P energy: -11.879
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -6.967
flat angles P-C4'-P energy: -7.178
tors. eta vs tors. theta energy: -6.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -87.372917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.372917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.372917 (E_RNA)
where:
Base-Base interactions energy: -41.079
where: short stacking energy: -29.130
Base-Backbone interact. energy: -0.077
local terms energy: -46.217319
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -7.145
flat angles C4'-P-C4' energy: -10.362
flat angles P-C4'-P energy: -6.742
tors. eta vs tors. theta energy: -7.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -78.052887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.052887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.052887 (E_RNA)
where:
Base-Base interactions energy: -32.492
where: short stacking energy: -31.389
Base-Backbone interact. energy: 4.075
local terms energy: -49.635667
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -12.709
flat angles P-C4'-P energy: -5.342
tors. eta vs tors. theta energy: -2.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -224.401662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.401662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.401662 (E_RNA)
where:
Base-Base interactions energy: -147.658
where: short stacking energy: -66.154
Base-Backbone interact. energy: -0.117
local terms energy: -76.626368
where:
bonds (distance) C4'-P energy: -16.157
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -17.395
flat angles P-C4'-P energy: -12.266
tors. eta vs tors. theta energy: -14.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -204.475293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.475293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.475293 (E_RNA)
where:
Base-Base interactions energy: -131.605
where: short stacking energy: -68.630
Base-Backbone interact. energy: -0.037
local terms energy: -72.832575
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -11.971
flat angles C4'-P-C4' energy: -15.449
flat angles P-C4'-P energy: -13.632
tors. eta vs tors. theta energy: -17.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -188.267796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.267796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.267796 (E_RNA)
where:
Base-Base interactions energy: -121.993
where: short stacking energy: -45.986
Base-Backbone interact. energy: -0.035
local terms energy: -66.240473
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -17.221
flat angles C4'-P-C4' energy: -13.194
flat angles P-C4'-P energy: -10.136
tors. eta vs tors. theta energy: -12.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -170.658079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.658079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.658079 (E_RNA)
where:
Base-Base interactions energy: -109.328
where: short stacking energy: -48.705
Base-Backbone interact. energy: -0.287
local terms energy: -61.043044
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -4.953
tors. eta vs tors. theta energy: -13.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -163.560097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.560097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.560097 (E_RNA)
where:
Base-Base interactions energy: -110.404
where: short stacking energy: -49.960
Base-Backbone interact. energy: -0.029
local terms energy: -53.127647
where:
bonds (distance) C4'-P energy: -8.691
bonds (distance) P-C4' energy: -13.229
flat angles C4'-P-C4' energy: -13.484
flat angles P-C4'-P energy: -9.332
tors. eta vs tors. theta energy: -8.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -104.811198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.811198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.811198 (E_RNA)
where:
Base-Base interactions energy: -54.677
where: short stacking energy: -19.750
Base-Backbone interact. energy: -0.780
local terms energy: -49.354111
where:
bonds (distance) C4'-P energy: -12.251
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -14.921
flat angles P-C4'-P energy: -10.872
tors. eta vs tors. theta energy: 3.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -103.765630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.765630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.765630 (E_RNA)
where:
Base-Base interactions energy: -47.721
where: short stacking energy: -36.845
Base-Backbone interact. energy: -0.077
local terms energy: -55.967243
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -14.926
flat angles C4'-P-C4' energy: -9.911
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: -4.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -99.780237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.780237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.780237 (E_RNA)
where:
Base-Base interactions energy: -46.563
where: short stacking energy: -34.450
Base-Backbone interact. energy: -0.098
local terms energy: -53.119152
where:
bonds (distance) C4'-P energy: -8.605
bonds (distance) P-C4' energy: -15.936
flat angles C4'-P-C4' energy: -10.892
flat angles P-C4'-P energy: -8.615
tors. eta vs tors. theta energy: -9.070
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: 1
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -85.455320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.455320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.455320 (E_RNA)
where:
Base-Base interactions energy: -39.262
where: short stacking energy: -30.979
Base-Backbone interact. energy: 0.349
local terms energy: -46.541556
where:
bonds (distance) C4'-P energy: -15.825
bonds (distance) P-C4' energy: -13.823
flat angles C4'-P-C4' energy: -6.651
flat angles P-C4'-P energy: -7.627
tors. eta vs tors. theta energy: -2.616
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: 10, replica: 7
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -81.949558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.949558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.949558 (E_RNA)
where:
Base-Base interactions energy: -29.973
where: short stacking energy: -17.165
Base-Backbone interact. energy: -0.416
local terms energy: -51.560369
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -16.926
flat angles C4'-P-C4' energy: -13.524
flat angles P-C4'-P energy: -7.867
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: 1, replica: 3
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -223.447159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.447159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.447159 (E_RNA)
where:
Base-Base interactions energy: -145.614
where: short stacking energy: -67.044
Base-Backbone interact. energy: -0.628
local terms energy: -77.205236
where:
bonds (distance) C4'-P energy: -12.450
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -14.209
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: 2, replica: 2
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -213.818038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.818038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.818038 (E_RNA)
where:
Base-Base interactions energy: -142.311
where: short stacking energy: -69.293
Base-Backbone interact. energy: -0.632
local terms energy: -70.875445
where:
bonds (distance) C4'-P energy: -11.827
bonds (distance) P-C4' energy: -14.940
flat angles C4'-P-C4' energy: -13.271
flat angles P-C4'-P energy: -11.577
tors. eta vs tors. theta energy: -19.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -178.740169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.740169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.740169 (E_RNA)
where:
Base-Base interactions energy: -107.652
where: short stacking energy: -55.344
Base-Backbone interact. energy: -1.183
local terms energy: -69.905223
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -16.508
flat angles C4'-P-C4' energy: -13.504
flat angles P-C4'-P energy: -9.872
tors. eta vs tors. theta energy: -15.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -191.879493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.879493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.879493 (E_RNA)
where:
Base-Base interactions energy: -130.285
where: short stacking energy: -52.582
Base-Backbone interact. energy: 0.431
local terms energy: -62.025412
where:
bonds (distance) C4'-P energy: -9.682
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -15.594
flat angles P-C4'-P energy: -6.987
tors. eta vs tors. theta energy: -13.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -170.410400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.410400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.410400 (E_RNA)
where:
Base-Base interactions energy: -107.157
where: short stacking energy: -57.762
Base-Backbone interact. energy: -0.049
local terms energy: -63.204481
where:
bonds (distance) C4'-P energy: -11.672
bonds (distance) P-C4' energy: -13.508
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -11.087
tors. eta vs tors. theta energy: -12.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -114.843501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.843501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.843501 (E_RNA)
where:
Base-Base interactions energy: -55.585
where: short stacking energy: -44.247
Base-Backbone interact. energy: -0.028
local terms energy: -59.230530
where:
bonds (distance) C4'-P energy: -9.949
bonds (distance) P-C4' energy: -16.182
flat angles C4'-P-C4' energy: -16.482
flat angles P-C4'-P energy: -9.528
tors. eta vs tors. theta energy: -7.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -100.794617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.794617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.794617 (E_RNA)
where:
Base-Base interactions energy: -54.251
where: short stacking energy: -46.855
Base-Backbone interact. energy: -0.089
local terms energy: -46.454303
where:
bonds (distance) C4'-P energy: -10.898
bonds (distance) P-C4' energy: -13.238
flat angles C4'-P-C4' energy: -13.256
flat angles P-C4'-P energy: 0.554
tors. eta vs tors. theta energy: -9.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -98.443830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.443830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.443830 (E_RNA)
where:
Base-Base interactions energy: -42.180
where: short stacking energy: -42.180
Base-Backbone interact. energy: -0.004
local terms energy: -56.260582
where:
bonds (distance) C4'-P energy: -12.427
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -13.014
flat angles P-C4'-P energy: -5.385
tors. eta vs tors. theta energy: -11.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -81.349489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.349489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.349489 (E_RNA)
where:
Base-Base interactions energy: -30.631
where: short stacking energy: -28.125
Base-Backbone interact. energy: 0.250
local terms energy: -50.968488
where:
bonds (distance) C4'-P energy: -11.059
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -12.829
flat angles P-C4'-P energy: -6.649
tors. eta vs tors. theta energy: -4.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -72.017483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.017483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.017483 (E_RNA)
where:
Base-Base interactions energy: -39.921
where: short stacking energy: -25.656
Base-Backbone interact. energy: -0.161
local terms energy: -31.936044
where:
bonds (distance) C4'-P energy: -5.503
bonds (distance) P-C4' energy: -9.933
flat angles C4'-P-C4' energy: -11.958
flat angles P-C4'-P energy: -1.227
tors. eta vs tors. theta energy: -3.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -222.222443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.222443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.222443 (E_RNA)
where:
Base-Base interactions energy: -141.805
where: short stacking energy: -77.796
Base-Backbone interact. energy: -0.003
local terms energy: -80.414305
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -15.329
flat angles C4'-P-C4' energy: -16.793
flat angles P-C4'-P energy: -12.393
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: 2, replica: 8
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -190.978615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.978615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.978615 (E_RNA)
where:
Base-Base interactions energy: -125.855
where: short stacking energy: -46.083
Base-Backbone interact. energy: -0.803
local terms energy: -64.320694
where:
bonds (distance) C4'-P energy: -15.333
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -12.007
flat angles P-C4'-P energy: -10.569
tors. eta vs tors. theta energy: -9.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -202.000509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.000509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.000509 (E_RNA)
where:
Base-Base interactions energy: -127.928
where: short stacking energy: -65.324
Base-Backbone interact. energy: -0.340
local terms energy: -73.732008
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -14.837
flat angles P-C4'-P energy: -9.037
tors. eta vs tors. theta energy: -22.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -182.391566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.391566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.391566 (E_RNA)
where:
Base-Base interactions energy: -125.047
where: short stacking energy: -54.182
Base-Backbone interact. energy: -0.382
local terms energy: -56.962944
where:
bonds (distance) C4'-P energy: -12.149
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -15.618
flat angles P-C4'-P energy: -5.310
tors. eta vs tors. theta energy: -10.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -156.105980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.105980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.105980 (E_RNA)
where:
Base-Base interactions energy: -91.764
where: short stacking energy: -42.804
Base-Backbone interact. energy: -0.054
local terms energy: -64.287963
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -12.822
flat angles C4'-P-C4' energy: -16.612
flat angles P-C4'-P energy: -7.024
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: 6, replica: 6
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -140.444635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.444635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.444635 (E_RNA)
where:
Base-Base interactions energy: -81.821
where: short stacking energy: -39.938
Base-Backbone interact. energy: -0.766
local terms energy: -57.857247
where:
bonds (distance) C4'-P energy: -10.754
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -11.630
flat angles P-C4'-P energy: -6.696
tors. eta vs tors. theta energy: -11.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -94.034733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.034733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.034733 (E_RNA)
where:
Base-Base interactions energy: -49.451
where: short stacking energy: -38.619
Base-Backbone interact. energy: -0.791
local terms energy: -43.793468
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -6.043
flat angles C4'-P-C4' energy: -11.441
flat angles P-C4'-P energy: -3.292
tors. eta vs tors. theta energy: -7.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -94.479829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.479829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.479829 (E_RNA)
where:
Base-Base interactions energy: -31.974
where: short stacking energy: -31.974
Base-Backbone interact. energy: 0.208
local terms energy: -62.713554
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -15.556
flat angles P-C4'-P energy: -9.649
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: 451
Temperature: 1.300000
Total energy: -81.799406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.799406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.799406 (E_RNA)
where:
Base-Base interactions energy: -39.090
where: short stacking energy: -20.625
Base-Backbone interact. energy: 1.649
local terms energy: -44.358441
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -5.558
flat angles P-C4'-P energy: -10.796
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: 1
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -92.500159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.500159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.500159 (E_RNA)
where:
Base-Base interactions energy: -35.647
where: short stacking energy: -34.203
Base-Backbone interact. energy: 0.189
local terms energy: -57.042937
where:
bonds (distance) C4'-P energy: -10.722
bonds (distance) P-C4' energy: -15.838
flat angles C4'-P-C4' energy: -17.014
flat angles P-C4'-P energy: -8.644
tors. eta vs tors. theta energy: -4.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -218.038886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.038886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.038886 (E_RNA)
where:
Base-Base interactions energy: -133.946
where: short stacking energy: -76.152
Base-Backbone interact. energy: -0.619
local terms energy: -83.473175
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -15.121
flat angles C4'-P-C4' energy: -17.466
flat angles P-C4'-P energy: -13.548
tors. eta vs tors. theta energy: -22.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -191.419613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.419613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.419613 (E_RNA)
where:
Base-Base interactions energy: -135.225
where: short stacking energy: -50.209
Base-Backbone interact. energy: -1.442
local terms energy: -54.752744
where:
bonds (distance) C4'-P energy: -12.951
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -14.631
flat angles P-C4'-P energy: -3.242
tors. eta vs tors. theta energy: -9.316
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: 2
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -185.062864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.062864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.062864 (E_RNA)
where:
Base-Base interactions energy: -111.073
where: short stacking energy: -57.677
Base-Backbone interact. energy: -0.447
local terms energy: -73.542807
where:
bonds (distance) C4'-P energy: -18.549
bonds (distance) P-C4' energy: -15.849
flat angles C4'-P-C4' energy: -14.683
flat angles P-C4'-P energy: -6.638
tors. eta vs tors. theta energy: -17.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -162.046140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.046140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.046140 (E_RNA)
where:
Base-Base interactions energy: -105.100
where: short stacking energy: -50.864
Base-Backbone interact. energy: -0.105
local terms energy: -56.841090
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -14.727
flat angles C4'-P-C4' energy: -10.815
flat angles P-C4'-P energy: -7.977
tors. eta vs tors. theta energy: -9.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -171.274940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.274940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.274940 (E_RNA)
where:
Base-Base interactions energy: -106.172
where: short stacking energy: -57.505
Base-Backbone interact. energy: -0.960
local terms energy: -64.143218
where:
bonds (distance) C4'-P energy: -10.555
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -16.624
flat angles P-C4'-P energy: -8.047
tors. eta vs tors. theta energy: -15.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -159.597681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.597681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.597681 (E_RNA)
where:
Base-Base interactions energy: -93.294
where: short stacking energy: -48.715
Base-Backbone interact. energy: -0.337
local terms energy: -65.965766
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -11.952
flat angles P-C4'-P energy: -6.741
tors. eta vs tors. theta energy: -14.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -90.140745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.140745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.140745 (E_RNA)
where:
Base-Base interactions energy: -41.398
where: short stacking energy: -41.398
Base-Backbone interact. energy: -0.104
local terms energy: -48.638240
where:
bonds (distance) C4'-P energy: -8.489
bonds (distance) P-C4' energy: -15.495
flat angles C4'-P-C4' energy: -14.804
flat angles P-C4'-P energy: -7.048
tors. eta vs tors. theta energy: -2.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -93.260513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.260513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.260513 (E_RNA)
where:
Base-Base interactions energy: -38.340
where: short stacking energy: -31.156
Base-Backbone interact. energy: -0.286
local terms energy: -54.634135
where:
bonds (distance) C4'-P energy: -13.388
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -12.143
flat angles P-C4'-P energy: -12.219
tors. eta vs tors. theta energy: -2.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -87.639824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.639824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.639824 (E_RNA)
where:
Base-Base interactions energy: -34.416
where: short stacking energy: -29.892
Base-Backbone interact. energy: -0.303
local terms energy: -52.920816
where:
bonds (distance) C4'-P energy: -14.928
bonds (distance) P-C4' energy: -14.283
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -8.963
tors. eta vs tors. theta energy: -0.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -83.910392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.910392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.910392 (E_RNA)
where:
Base-Base interactions energy: -37.561
where: short stacking energy: -30.000
Base-Backbone interact. energy: 0.074
local terms energy: -46.424123
where:
bonds (distance) C4'-P energy: -10.195
bonds (distance) P-C4' energy: -12.699
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -7.104
tors. eta vs tors. theta energy: -1.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -216.260841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.260841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.260841 (E_RNA)
where:
Base-Base interactions energy: -141.865
where: short stacking energy: -60.638
Base-Backbone interact. energy: -0.644
local terms energy: -73.751127
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -16.260
flat angles P-C4'-P energy: -10.126
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: 2, replica: 2
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -192.158021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.158021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.158021 (E_RNA)
where:
Base-Base interactions energy: -116.987
where: short stacking energy: -68.002
Base-Backbone interact. energy: -0.000
local terms energy: -75.170303
where:
bonds (distance) C4'-P energy: -16.992
bonds (distance) P-C4' energy: -15.847
flat angles C4'-P-C4' energy: -14.970
flat angles P-C4'-P energy: -9.921
tors. eta vs tors. theta energy: -17.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -187.045256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.045256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.045256 (E_RNA)
where:
Base-Base interactions energy: -126.230
where: short stacking energy: -57.710
Base-Backbone interact. energy: 1.426
local terms energy: -62.241245
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -13.430
flat angles P-C4'-P energy: -7.615
tors. eta vs tors. theta energy: -13.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -188.843283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.843283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.843283 (E_RNA)
where:
Base-Base interactions energy: -118.306
where: short stacking energy: -45.832
Base-Backbone interact. energy: -0.039
local terms energy: -70.498099
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -14.851
flat angles C4'-P-C4' energy: -13.234
flat angles P-C4'-P energy: -11.510
tors. eta vs tors. theta energy: -17.318
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: 4
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -169.958105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.958105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.958105 (E_RNA)
where:
Base-Base interactions energy: -105.963
where: short stacking energy: -62.574
Base-Backbone interact. energy: -0.003
local terms energy: -63.991881
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -12.892
flat angles P-C4'-P energy: -10.932
tors. eta vs tors. theta energy: -13.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -169.201447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.201447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.201447 (E_RNA)
where:
Base-Base interactions energy: -114.178
where: short stacking energy: -46.916
Base-Backbone interact. energy: 0.767
local terms energy: -55.790325
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -7.462
flat angles P-C4'-P energy: -6.529
tors. eta vs tors. theta energy: -11.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -131.380844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.380844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.380844 (E_RNA)
where:
Base-Base interactions energy: -74.651
where: short stacking energy: -42.404
Base-Backbone interact. energy: 0.860
local terms energy: -57.589698
where:
bonds (distance) C4'-P energy: -10.918
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -12.400
flat angles P-C4'-P energy: -6.729
tors. eta vs tors. theta energy: -9.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -133.948981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.948981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.948981 (E_RNA)
where:
Base-Base interactions energy: -81.764
where: short stacking energy: -45.115
Base-Backbone interact. energy: -0.097
local terms energy: -52.088252
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -7.846
flat angles C4'-P-C4' energy: -9.530
flat angles P-C4'-P energy: -10.161
tors. eta vs tors. theta energy: -9.311
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: 9, replica: 5
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -90.336713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.336713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.336713 (E_RNA)
where:
Base-Base interactions energy: -34.528
where: short stacking energy: -34.110
Base-Backbone interact. energy: -0.125
local terms energy: -55.684105
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -12.686
flat angles C4'-P-C4' energy: -17.359
flat angles P-C4'-P energy: -4.853
tors. eta vs tors. theta energy: -6.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -76.104047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.104047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.104047 (E_RNA)
where:
Base-Base interactions energy: -29.544
where: short stacking energy: -22.185
Base-Backbone interact. energy: 0.974
local terms energy: -47.533794
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -10.176
flat angles C4'-P-C4' energy: -9.362
flat angles P-C4'-P energy: -11.728
tors. eta vs tors. theta energy: -2.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -196.700930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.700930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.700930 (E_RNA)
where:
Base-Base interactions energy: -125.011
where: short stacking energy: -66.676
Base-Backbone interact. energy: -0.180
local terms energy: -71.509602
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -10.935
flat angles C4'-P-C4' energy: -13.127
flat angles P-C4'-P energy: -12.620
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: 3
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -204.207480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.207480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.207480 (E_RNA)
where:
Base-Base interactions energy: -128.782
where: short stacking energy: -73.802
Base-Backbone interact. energy: -0.338
local terms energy: -75.088065
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -15.854
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -19.195
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: 454
Temperature: 1.000000
Total energy: -189.071538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.071538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.071538 (E_RNA)
where:
Base-Base interactions energy: -116.541
where: short stacking energy: -62.057
Base-Backbone interact. energy: -0.012
local terms energy: -72.518231
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -14.177
flat angles P-C4'-P energy: -9.992
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: 4, replica: 6
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -182.364832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.364832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.364832 (E_RNA)
where:
Base-Base interactions energy: -117.657
where: short stacking energy: -61.933
Base-Backbone interact. energy: -0.126
local terms energy: -64.581476
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -12.700
flat angles C4'-P-C4' energy: -13.009
flat angles P-C4'-P energy: -7.771
tors. eta vs tors. theta energy: -17.541
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: 9
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -185.837673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.837673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.837673 (E_RNA)
where:
Base-Base interactions energy: -123.992
where: short stacking energy: -49.054
Base-Backbone interact. energy: -0.032
local terms energy: -61.813591
where:
bonds (distance) C4'-P energy: -9.072
bonds (distance) P-C4' energy: -16.542
flat angles C4'-P-C4' energy: -15.206
flat angles P-C4'-P energy: -7.223
tors. eta vs tors. theta energy: -13.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -170.528771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.528771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.528771 (E_RNA)
where:
Base-Base interactions energy: -110.809
where: short stacking energy: -51.049
Base-Backbone interact. energy: 2.679
local terms energy: -62.398785
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -16.186
flat angles C4'-P-C4' energy: -13.900
flat angles P-C4'-P energy: -8.123
tors. eta vs tors. theta energy: -8.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -140.472246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.472246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.472246 (E_RNA)
where:
Base-Base interactions energy: -91.531
where: short stacking energy: -42.769
Base-Backbone interact. energy: -0.068
local terms energy: -48.873615
where:
bonds (distance) C4'-P energy: -15.575
bonds (distance) P-C4' energy: -9.272
flat angles C4'-P-C4' energy: -10.067
flat angles P-C4'-P energy: -10.284
tors. eta vs tors. theta energy: -3.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -94.404669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.404669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.404669 (E_RNA)
where:
Base-Base interactions energy: -36.248
where: short stacking energy: -28.875
Base-Backbone interact. energy: -0.343
local terms energy: -57.813809
where:
bonds (distance) C4'-P energy: -17.001
bonds (distance) P-C4' energy: -13.563
flat angles C4'-P-C4' energy: -12.526
flat angles P-C4'-P energy: -12.470
tors. eta vs tors. theta energy: -2.254
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: 10
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -79.963541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.963541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.963541 (E_RNA)
where:
Base-Base interactions energy: -28.473
where: short stacking energy: -26.758
Base-Backbone interact. energy: -0.112
local terms energy: -51.378880
where:
bonds (distance) C4'-P energy: -8.353
bonds (distance) P-C4' energy: -16.147
flat angles C4'-P-C4' energy: -14.748
flat angles P-C4'-P energy: -7.730
tors. eta vs tors. theta energy: -4.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -76.722861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.722861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.722861 (E_RNA)
where:
Base-Base interactions energy: -38.694
where: short stacking energy: -28.559
Base-Backbone interact. energy: 0.580
local terms energy: -38.608526
where:
bonds (distance) C4'-P energy: -9.288
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -8.361
flat angles P-C4'-P energy: -6.064
tors. eta vs tors. theta energy: -1.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -198.158827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.158827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.158827 (E_RNA)
where:
Base-Base interactions energy: -126.670
where: short stacking energy: -62.206
Base-Backbone interact. energy: -0.324
local terms energy: -71.164771
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -18.482
flat angles C4'-P-C4' energy: -12.217
flat angles P-C4'-P energy: -9.745
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: 2, replica: 3
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -197.160464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.160464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.160464 (E_RNA)
where:
Base-Base interactions energy: -121.888
where: short stacking energy: -64.218
Base-Backbone interact. energy: -0.002
local terms energy: -75.270631
where:
bonds (distance) C4'-P energy: -13.992
bonds (distance) P-C4' energy: -17.997
flat angles C4'-P-C4' energy: -12.174
flat angles P-C4'-P energy: -10.636
tors. eta vs tors. theta energy: -20.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -193.003142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.003142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.003142 (E_RNA)
where:
Base-Base interactions energy: -125.786
where: short stacking energy: -48.197
Base-Backbone interact. energy: -0.974
local terms energy: -66.242481
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -15.896
flat angles P-C4'-P energy: -11.179
tors. eta vs tors. theta energy: -10.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -173.679650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.679650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.679650 (E_RNA)
where:
Base-Base interactions energy: -119.235
where: short stacking energy: -48.014
Base-Backbone interact. energy: -0.930
local terms energy: -53.514324
where:
bonds (distance) C4'-P energy: -10.984
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -9.395
flat angles P-C4'-P energy: -8.862
tors. eta vs tors. theta energy: -9.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -172.304222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.304222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.304222 (E_RNA)
where:
Base-Base interactions energy: -110.910
where: short stacking energy: -49.118
Base-Backbone interact. energy: -0.176
local terms energy: -61.218453
where:
bonds (distance) C4'-P energy: -11.757
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -15.574
flat angles P-C4'-P energy: -8.712
tors. eta vs tors. theta energy: -11.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -151.347020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.347020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.347020 (E_RNA)
where:
Base-Base interactions energy: -93.708
where: short stacking energy: -42.017
Base-Backbone interact. energy: -1.060
local terms energy: -56.579541
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -14.110
flat angles C4'-P-C4' energy: -15.010
flat angles P-C4'-P energy: -0.744
tors. eta vs tors. theta energy: -11.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -97.050924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.050924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.050924 (E_RNA)
where:
Base-Base interactions energy: -38.828
where: short stacking energy: -35.106
Base-Backbone interact. energy: -0.028
local terms energy: -58.194989
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -15.990
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -8.591
tors. eta vs tors. theta energy: -4.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -94.260711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.260711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.260711 (E_RNA)
where:
Base-Base interactions energy: -43.525
where: short stacking energy: -40.036
Base-Backbone interact. energy: -0.052
local terms energy: -50.683622
where:
bonds (distance) C4'-P energy: -10.224
bonds (distance) P-C4' energy: -9.627
flat angles C4'-P-C4' energy: -14.183
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -5.819
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: 9, replica: 7
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -81.172133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.172133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.172133 (E_RNA)
where:
Base-Base interactions energy: -37.337
where: short stacking energy: -30.455
Base-Backbone interact. energy: -0.281
local terms energy: -43.554342
where:
bonds (distance) C4'-P energy: -10.820
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -10.878
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: 2.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -85.364017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.364017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.364017 (E_RNA)
where:
Base-Base interactions energy: -32.665
where: short stacking energy: -32.665
Base-Backbone interact. energy: -0.052
local terms energy: -52.646931
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -17.664
flat angles P-C4'-P energy: -1.801
tors. eta vs tors. theta energy: -5.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -200.296185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.296185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.296185 (E_RNA)
where:
Base-Base interactions energy: -127.131
where: short stacking energy: -66.376
Base-Backbone interact. energy: 2.328
local terms energy: -75.493013
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -13.808
flat angles P-C4'-P energy: -11.672
tors. eta vs tors. theta energy: -17.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -200.086179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.086179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.086179 (E_RNA)
where:
Base-Base interactions energy: -126.705
where: short stacking energy: -65.682
Base-Backbone interact. energy: -0.528
local terms energy: -72.853010
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -16.302
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -15.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -196.654965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.654965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.654965 (E_RNA)
where:
Base-Base interactions energy: -125.415
where: short stacking energy: -58.663
Base-Backbone interact. energy: -0.056
local terms energy: -71.183447
where:
bonds (distance) C4'-P energy: -18.263
bonds (distance) P-C4' energy: -11.067
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -7.319
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: 4, replica: 8
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -177.439751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.439751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.439751 (E_RNA)
where:
Base-Base interactions energy: -120.135
where: short stacking energy: -54.520
Base-Backbone interact. energy: -0.773
local terms energy: -56.532077
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -14.500
flat angles P-C4'-P energy: -6.383
tors. eta vs tors. theta energy: -5.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -174.380867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.380867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.380867 (E_RNA)
where:
Base-Base interactions energy: -106.624
where: short stacking energy: -53.251
Base-Backbone interact. energy: -0.283
local terms energy: -67.474364
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -12.952
flat angles C4'-P-C4' energy: -16.862
flat angles P-C4'-P energy: -10.027
tors. eta vs tors. theta energy: -13.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -169.822608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.822608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.822608 (E_RNA)
where:
Base-Base interactions energy: -103.338
where: short stacking energy: -51.994
Base-Backbone interact. energy: 0.157
local terms energy: -66.641634
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -15.872
flat angles C4'-P-C4' energy: -14.874
flat angles P-C4'-P energy: -7.420
tors. eta vs tors. theta energy: -16.286
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: 1
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -92.461859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.461859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.461859 (E_RNA)
where:
Base-Base interactions energy: -37.390
where: short stacking energy: -13.049
Base-Backbone interact. energy: 1.456
local terms energy: -56.527729
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -18.926
flat angles C4'-P-C4' energy: -15.435
flat angles P-C4'-P energy: -10.183
tors. eta vs tors. theta energy: 2.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -102.777785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.777785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.777785 (E_RNA)
where:
Base-Base interactions energy: -49.143
where: short stacking energy: -30.289
Base-Backbone interact. energy: -0.185
local terms energy: -53.449391
where:
bonds (distance) C4'-P energy: -12.411
bonds (distance) P-C4' energy: -17.862
flat angles C4'-P-C4' energy: -13.273
flat angles P-C4'-P energy: -4.998
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: 9, replica: 5
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -79.851382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.851382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.851382 (E_RNA)
where:
Base-Base interactions energy: -31.547
where: short stacking energy: -25.527
Base-Backbone interact. energy: -0.289
local terms energy: -48.014899
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -7.751
flat angles P-C4'-P energy: -9.825
tors. eta vs tors. theta energy: 1.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -81.370151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.370151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.370151 (E_RNA)
where:
Base-Base interactions energy: -26.472
where: short stacking energy: -26.472
Base-Backbone interact. energy: -0.007
local terms energy: -54.891863
where:
bonds (distance) C4'-P energy: -15.344
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -12.144
flat angles P-C4'-P energy: -8.629
tors. eta vs tors. theta energy: -2.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -206.361285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.361285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.361285 (E_RNA)
where:
Base-Base interactions energy: -133.830
where: short stacking energy: -73.871
Base-Backbone interact. energy: 0.034
local terms energy: -72.564580
where:
bonds (distance) C4'-P energy: -11.295
bonds (distance) P-C4' energy: -12.868
flat angles C4'-P-C4' energy: -16.092
flat angles P-C4'-P energy: -11.947
tors. eta vs tors. theta energy: -20.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -195.317301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.317301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.317301 (E_RNA)
where:
Base-Base interactions energy: -127.646
where: short stacking energy: -58.253
Base-Backbone interact. energy: -0.142
local terms energy: -67.529472
where:
bonds (distance) C4'-P energy: -15.680
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -12.181
flat angles P-C4'-P energy: -8.169
tors. eta vs tors. theta energy: -15.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -199.839825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.839825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.839825 (E_RNA)
where:
Base-Base interactions energy: -126.490
where: short stacking energy: -64.346
Base-Backbone interact. energy: -0.352
local terms energy: -72.997629
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -9.421
tors. eta vs tors. theta energy: -17.211
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: 4, replica: 6
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -190.056358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.056358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.056358 (E_RNA)
where:
Base-Base interactions energy: -119.956
where: short stacking energy: -58.512
Base-Backbone interact. energy: -0.228
local terms energy: -69.872052
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -14.851
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -8.574
tors. eta vs tors. theta energy: -16.414
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: 5, replica: 8
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -168.060480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.060480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.060480 (E_RNA)
where:
Base-Base interactions energy: -102.457
where: short stacking energy: -49.113
Base-Backbone interact. energy: -0.220
local terms energy: -65.383991
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -5.485
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: 6, replica: 1
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -142.346544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.346544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.346544 (E_RNA)
where:
Base-Base interactions energy: -75.941
where: short stacking energy: -38.161
Base-Backbone interact. energy: 1.632
local terms energy: -68.036886
where:
bonds (distance) C4'-P energy: -17.366
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -16.129
flat angles P-C4'-P energy: -11.733
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: 4
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -150.286004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.286004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.286004 (E_RNA)
where:
Base-Base interactions energy: -91.808
where: short stacking energy: -50.100
Base-Backbone interact. energy: -0.002
local terms energy: -58.476398
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -12.102
flat angles P-C4'-P energy: -8.541
tors. eta vs tors. theta energy: -9.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -97.758377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.758377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.758377 (E_RNA)
where:
Base-Base interactions energy: -44.912
where: short stacking energy: -25.162
Base-Backbone interact. energy: -1.505
local terms energy: -51.341259
where:
bonds (distance) C4'-P energy: -16.875
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -9.475
flat angles P-C4'-P energy: -9.858
tors. eta vs tors. theta energy: 1.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -81.049291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.049291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.049291 (E_RNA)
where:
Base-Base interactions energy: -26.287
where: short stacking energy: -26.287
Base-Backbone interact. energy: -0.095
local terms energy: -54.667075
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -12.673
flat angles C4'-P-C4' energy: -14.246
flat angles P-C4'-P energy: -4.463
tors. eta vs tors. theta energy: -9.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -74.140408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.140408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.140408 (E_RNA)
where:
Base-Base interactions energy: -18.157
where: short stacking energy: -18.157
Base-Backbone interact. energy: -0.202
local terms energy: -55.782236
where:
bonds (distance) C4'-P energy: -11.345
bonds (distance) P-C4' energy: -14.712
flat angles C4'-P-C4' energy: -16.474
flat angles P-C4'-P energy: -12.421
tors. eta vs tors. theta energy: -0.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -209.481070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.481070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.481070 (E_RNA)
where:
Base-Base interactions energy: -132.420
where: short stacking energy: -64.677
Base-Backbone interact. energy: 0.559
local terms energy: -77.620578
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -15.830
flat angles C4'-P-C4' energy: -15.186
flat angles P-C4'-P energy: -10.243
tors. eta vs tors. theta energy: -19.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -210.373541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.373541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.373541 (E_RNA)
where:
Base-Base interactions energy: -132.302
where: short stacking energy: -75.100
Base-Backbone interact. energy: -0.019
local terms energy: -78.052725
where:
bonds (distance) C4'-P energy: -15.929
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -16.977
flat angles P-C4'-P energy: -9.398
tors. eta vs tors. theta energy: -19.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -185.852870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.852870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.852870 (E_RNA)
where:
Base-Base interactions energy: -116.870
where: short stacking energy: -55.026
Base-Backbone interact. energy: -0.300
local terms energy: -68.682957
where:
bonds (distance) C4'-P energy: -13.371
bonds (distance) P-C4' energy: -12.450
flat angles C4'-P-C4' energy: -17.268
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: -16.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -188.126127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.126127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.126127 (E_RNA)
where:
Base-Base interactions energy: -116.991
where: short stacking energy: -58.466
Base-Backbone interact. energy: -0.180
local terms energy: -70.955123
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -14.624
flat angles C4'-P-C4' energy: -14.279
flat angles P-C4'-P energy: -8.489
tors. eta vs tors. theta energy: -18.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -157.969176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.969176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.969176 (E_RNA)
where:
Base-Base interactions energy: -101.380
where: short stacking energy: -51.861
Base-Backbone interact. energy: -0.047
local terms energy: -56.542089
where:
bonds (distance) C4'-P energy: -12.129
bonds (distance) P-C4' energy: -8.022
flat angles C4'-P-C4' energy: -14.496
flat angles P-C4'-P energy: -5.950
tors. eta vs tors. theta energy: -15.945
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: 8
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -152.953897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.953897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.953897 (E_RNA)
where:
Base-Base interactions energy: -93.755
where: short stacking energy: -35.838
Base-Backbone interact. energy: 0.769
local terms energy: -59.967966
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -14.513
flat angles P-C4'-P energy: -11.102
tors. eta vs tors. theta energy: -6.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -154.578925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.578925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.578925 (E_RNA)
where:
Base-Base interactions energy: -95.944
where: short stacking energy: -49.948
Base-Backbone interact. energy: -0.031
local terms energy: -58.603750
where:
bonds (distance) C4'-P energy: -10.083
bonds (distance) P-C4' energy: -13.207
flat angles C4'-P-C4' energy: -16.899
flat angles P-C4'-P energy: -6.489
tors. eta vs tors. theta energy: -11.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -87.987079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.987079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.987079 (E_RNA)
where:
Base-Base interactions energy: -44.304
where: short stacking energy: -38.864
Base-Backbone interact. energy: -0.147
local terms energy: -43.535752
where:
bonds (distance) C4'-P energy: -8.994
bonds (distance) P-C4' energy: -10.452
flat angles C4'-P-C4' energy: -13.348
flat angles P-C4'-P energy: -4.414
tors. eta vs tors. theta energy: -6.328
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: 10
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -79.787977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.787977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.787977 (E_RNA)
where:
Base-Base interactions energy: -33.320
where: short stacking energy: -33.320
Base-Backbone interact. energy: -0.061
local terms energy: -46.407292
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -7.090
flat angles C4'-P-C4' energy: -9.517
flat angles P-C4'-P energy: -10.325
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: 7
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -88.032747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.032747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.032747 (E_RNA)
where:
Base-Base interactions energy: -34.600
where: short stacking energy: -33.660
Base-Backbone interact. energy: -0.261
local terms energy: -53.171687
where:
bonds (distance) C4'-P energy: -13.042
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -15.006
flat angles P-C4'-P energy: -5.738
tors. eta vs tors. theta energy: -3.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -204.676370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.676370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.676370 (E_RNA)
where:
Base-Base interactions energy: -129.512
where: short stacking energy: -59.267
Base-Backbone interact. energy: -0.137
local terms energy: -75.027086
where:
bonds (distance) C4'-P energy: -17.381
bonds (distance) P-C4' energy: -14.461
flat angles C4'-P-C4' energy: -13.408
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -17.797
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: 2, replica: 2
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -195.954192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.954192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.954192 (E_RNA)
where:
Base-Base interactions energy: -125.372
where: short stacking energy: -73.329
Base-Backbone interact. energy: -0.002
local terms energy: -70.580172
where:
bonds (distance) C4'-P energy: -11.237
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -15.643
flat angles P-C4'-P energy: -7.932
tors. eta vs tors. theta energy: -19.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -202.483485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.483485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.483485 (E_RNA)
where:
Base-Base interactions energy: -131.977
where: short stacking energy: -58.174
Base-Backbone interact. energy: -0.448
local terms energy: -70.058958
where:
bonds (distance) C4'-P energy: -12.535
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -14.788
flat angles P-C4'-P energy: -9.425
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: 4, replica: 3
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -176.563355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.563355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.563355 (E_RNA)
where:
Base-Base interactions energy: -104.882
where: short stacking energy: -55.729
Base-Backbone interact. energy: -0.684
local terms energy: -70.997085
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -13.563
flat angles P-C4'-P energy: -11.645
tors. eta vs tors. theta energy: -14.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -157.735779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.735779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.735779 (E_RNA)
where:
Base-Base interactions energy: -100.323
where: short stacking energy: -52.600
Base-Backbone interact. energy: -0.007
local terms energy: -57.405304
where:
bonds (distance) C4'-P energy: -10.512
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -14.148
flat angles P-C4'-P energy: -3.515
tors. eta vs tors. theta energy: -14.470
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: 4
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -168.823631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.823631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.823631 (E_RNA)
where:
Base-Base interactions energy: -98.307
where: short stacking energy: -53.442
Base-Backbone interact. energy: -0.058
local terms energy: -70.458726
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -10.631
flat angles C4'-P-C4' energy: -17.658
flat angles P-C4'-P energy: -11.243
tors. eta vs tors. theta energy: -16.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -146.345002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.345002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.345002 (E_RNA)
where:
Base-Base interactions energy: -85.480
where: short stacking energy: -45.173
Base-Backbone interact. energy: -0.011
local terms energy: -60.854538
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -12.992
flat angles C4'-P-C4' energy: -14.526
flat angles P-C4'-P energy: -8.074
tors. eta vs tors. theta energy: -13.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -92.265028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.265028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.265028 (E_RNA)
where:
Base-Base interactions energy: -33.156
where: short stacking energy: -33.156
Base-Backbone interact. energy: -0.224
local terms energy: -58.885393
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -16.627
flat angles P-C4'-P energy: -5.896
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)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -90.499510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.499510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.499510 (E_RNA)
where:
Base-Base interactions energy: -32.830
where: short stacking energy: -27.433
Base-Backbone interact. energy: -0.321
local terms energy: -57.347629
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -13.613
flat angles P-C4'-P energy: -9.056
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: 10, replica: 7
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -84.849094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.849094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.849094 (E_RNA)
where:
Base-Base interactions energy: -36.071
where: short stacking energy: -36.071
Base-Backbone interact. energy: -0.006
local terms energy: -48.772052
where:
bonds (distance) C4'-P energy: -5.885
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -14.510
flat angles P-C4'-P energy: 0.741
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: 1, replica: 9
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -205.618299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.618299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.618299 (E_RNA)
where:
Base-Base interactions energy: -134.860
where: short stacking energy: -59.475
Base-Backbone interact. energy: -0.039
local terms energy: -70.719909
where:
bonds (distance) C4'-P energy: -15.422
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -15.780
flat angles P-C4'-P energy: -9.481
tors. eta vs tors. theta energy: -16.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -207.130568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.130568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.130568 (E_RNA)
where:
Base-Base interactions energy: -135.898
where: short stacking energy: -64.374
Base-Backbone interact. energy: -0.011
local terms energy: -71.221600
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -15.174
flat angles P-C4'-P energy: -10.110
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: 3, replica: 6
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -209.666841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.666841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.666841 (E_RNA)
where:
Base-Base interactions energy: -135.769
where: short stacking energy: -65.950
Base-Backbone interact. energy: -0.577
local terms energy: -73.320274
where:
bonds (distance) C4'-P energy: -15.734
bonds (distance) P-C4' energy: -13.201
flat angles C4'-P-C4' energy: -17.149
flat angles P-C4'-P energy: -8.791
tors. eta vs tors. theta energy: -18.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -170.872810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.872810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.872810 (E_RNA)
where:
Base-Base interactions energy: -107.143
where: short stacking energy: -53.412
Base-Backbone interact. energy: -0.107
local terms energy: -63.622745
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -15.704
flat angles P-C4'-P energy: -5.900
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: 5, replica: 4
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -172.290661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.290661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.290661 (E_RNA)
where:
Base-Base interactions energy: -103.304
where: short stacking energy: -52.508
Base-Backbone interact. energy: -0.011
local terms energy: -68.976533
where:
bonds (distance) C4'-P energy: -18.730
bonds (distance) P-C4' energy: -9.559
flat angles C4'-P-C4' energy: -13.054
flat angles P-C4'-P energy: -11.798
tors. eta vs tors. theta energy: -15.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -157.382865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.382865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.382865 (E_RNA)
where:
Base-Base interactions energy: -97.853
where: short stacking energy: -62.505
Base-Backbone interact. energy: -0.540
local terms energy: -58.989578
where:
bonds (distance) C4'-P energy: -9.806
bonds (distance) P-C4' energy: -13.015
flat angles C4'-P-C4' energy: -10.821
flat angles P-C4'-P energy: -5.540
tors. eta vs tors. theta energy: -19.808
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: 8
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -92.450415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.450415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.450415 (E_RNA)
where:
Base-Base interactions energy: -41.527
where: short stacking energy: -22.534
Base-Backbone interact. energy: -1.555
local terms energy: -49.368321
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -6.119
flat angles P-C4'-P energy: -10.875
tors. eta vs tors. theta energy: -1.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -105.729507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.729507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.729507 (E_RNA)
where:
Base-Base interactions energy: -52.373
where: short stacking energy: -35.596
Base-Backbone interact. energy: -0.108
local terms energy: -53.248603
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -12.175
flat angles P-C4'-P energy: -6.714
tors. eta vs tors. theta energy: -4.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -83.094391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.094391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.094391 (E_RNA)
where:
Base-Base interactions energy: -29.202
where: short stacking energy: -27.931
Base-Backbone interact. energy: -0.090
local terms energy: -53.801967
where:
bonds (distance) C4'-P energy: -11.558
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -12.616
flat angles P-C4'-P energy: -9.828
tors. eta vs tors. theta energy: -3.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -74.498714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.498714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.498714 (E_RNA)
where:
Base-Base interactions energy: -28.356
where: short stacking energy: -19.480
Base-Backbone interact. energy: 1.884
local terms energy: -48.027090
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -14.634
flat angles C4'-P-C4' energy: -13.437
flat angles P-C4'-P energy: -5.373
tors. eta vs tors. theta energy: -0.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -209.070300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.070300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.070300 (E_RNA)
where:
Base-Base interactions energy: -132.895
where: short stacking energy: -65.466
Base-Backbone interact. energy: -0.062
local terms energy: -76.113815
where:
bonds (distance) C4'-P energy: -18.395
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -16.382
flat angles P-C4'-P energy: -8.409
tors. eta vs tors. theta energy: -17.493
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: 6
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -214.087221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.087221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.087221 (E_RNA)
where:
Base-Base interactions energy: -144.726
where: short stacking energy: -57.546
Base-Backbone interact. energy: -0.761
local terms energy: -68.599983
where:
bonds (distance) C4'-P energy: -17.738
bonds (distance) P-C4' energy: -9.981
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -8.434
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: 3, replica: 2
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -195.964664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.964664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.964664 (E_RNA)
where:
Base-Base interactions energy: -128.657
where: short stacking energy: -67.260
Base-Backbone interact. energy: -0.007
local terms energy: -67.301003
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -14.501
flat angles P-C4'-P energy: -8.359
tors. eta vs tors. theta energy: -16.834
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: 4, replica: 3
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -168.739482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.739482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.739482 (E_RNA)
where:
Base-Base interactions energy: -106.009
where: short stacking energy: -46.335
Base-Backbone interact. energy: -0.186
local terms energy: -62.545029
where:
bonds (distance) C4'-P energy: -8.324
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -15.789
flat angles P-C4'-P energy: -7.310
tors. eta vs tors. theta energy: -14.649
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: 5, replica: 4
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -160.666732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.666732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.666732 (E_RNA)
where:
Base-Base interactions energy: -95.200
where: short stacking energy: -50.812
Base-Backbone interact. energy: -0.097
local terms energy: -65.370050
where:
bonds (distance) C4'-P energy: -11.391
bonds (distance) P-C4' energy: -18.123
flat angles C4'-P-C4' energy: -14.851
flat angles P-C4'-P energy: -12.870
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: 6, replica: 1
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -154.357570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.357570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.357570 (E_RNA)
where:
Base-Base interactions energy: -93.743
where: short stacking energy: -56.891
Base-Backbone interact. energy: -0.206
local terms energy: -60.408302
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -11.728
flat angles C4'-P-C4' energy: -14.808
flat angles P-C4'-P energy: -9.219
tors. eta vs tors. theta energy: -9.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -92.916261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.916261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.916261 (E_RNA)
where:
Base-Base interactions energy: -41.894
where: short stacking energy: -38.347
Base-Backbone interact. energy: -0.067
local terms energy: -50.955353
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -13.214
flat angles C4'-P-C4' energy: -11.485
flat angles P-C4'-P energy: -8.110
tors. eta vs tors. theta energy: -4.627
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: 7
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -87.131085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.131085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.131085 (E_RNA)
where:
Base-Base interactions energy: -38.582
where: short stacking energy: -32.121
Base-Backbone interact. energy: -0.075
local terms energy: -48.473915
where:
bonds (distance) C4'-P energy: -14.584
bonds (distance) P-C4' energy: -10.271
flat angles C4'-P-C4' energy: -16.372
flat angles P-C4'-P energy: -4.209
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: 9, replica: 10
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -85.130689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.130689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.130689 (E_RNA)
where:
Base-Base interactions energy: -37.952
where: short stacking energy: -30.516
Base-Backbone interact. energy: -0.423
local terms energy: -46.755554
where:
bonds (distance) C4'-P energy: -11.128
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -8.325
flat angles P-C4'-P energy: -9.450
tors. eta vs tors. theta energy: -1.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -77.232534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.232534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.232534 (E_RNA)
where:
Base-Base interactions energy: -26.752
where: short stacking energy: -26.752
Base-Backbone interact. energy: -0.072
local terms energy: -50.408904
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -14.705
flat angles C4'-P-C4' energy: -8.955
flat angles P-C4'-P energy: -9.698
tors. eta vs tors. theta energy: -2.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -214.075019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.075019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.075019 (E_RNA)
where:
Base-Base interactions energy: -145.991
where: short stacking energy: -62.577
Base-Backbone interact. energy: -0.784
local terms energy: -67.300203
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -10.485
flat angles P-C4'-P energy: -9.522
tors. eta vs tors. theta energy: -15.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -201.674717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.674717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.674717 (E_RNA)
where:
Base-Base interactions energy: -131.476
where: short stacking energy: -52.444
Base-Backbone interact. energy: -0.516
local terms energy: -69.682366
where:
bonds (distance) C4'-P energy: -16.139
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -11.778
tors. eta vs tors. theta energy: -13.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -201.536231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.536231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.536231 (E_RNA)
where:
Base-Base interactions energy: -135.546
where: short stacking energy: -60.492
Base-Backbone interact. energy: -1.036
local terms energy: -64.954305
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -14.731
flat angles C4'-P-C4' energy: -12.445
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: -13.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -166.569607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.569607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.569607 (E_RNA)
where:
Base-Base interactions energy: -98.833
where: short stacking energy: -46.887
Base-Backbone interact. energy: -0.013
local terms energy: -67.723629
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -14.233
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -6.505
tors. eta vs tors. theta energy: -16.003
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: 1
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -146.678893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.678893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.678893 (E_RNA)
where:
Base-Base interactions energy: -81.715
where: short stacking energy: -43.370
Base-Backbone interact. energy: -0.145
local terms energy: -64.818753
where:
bonds (distance) C4'-P energy: -16.612
bonds (distance) P-C4' energy: -16.535
flat angles C4'-P-C4' energy: -13.650
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: -8.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -142.685221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.685221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.685221 (E_RNA)
where:
Base-Base interactions energy: -81.047
where: short stacking energy: -42.979
Base-Backbone interact. energy: -0.003
local terms energy: -61.635518
where:
bonds (distance) C4'-P energy: -11.636
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -11.905
flat angles P-C4'-P energy: -12.877
tors. eta vs tors. theta energy: -7.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -98.164864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.164864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.164864 (E_RNA)
where:
Base-Base interactions energy: -49.044
where: short stacking energy: -34.148
Base-Backbone interact. energy: 0.791
local terms energy: -49.911724
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -12.062
flat angles C4'-P-C4' energy: -12.621
flat angles P-C4'-P energy: -7.846
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: 8, replica: 8
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -102.680293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.680293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.680293 (E_RNA)
where:
Base-Base interactions energy: -56.146
where: short stacking energy: -30.415
Base-Backbone interact. energy: -0.033
local terms energy: -46.501254
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -8.747
flat angles P-C4'-P energy: -7.458
tors. eta vs tors. theta energy: -2.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -78.759926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.759926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.759926 (E_RNA)
where:
Base-Base interactions energy: -29.109
where: short stacking energy: -19.681
Base-Backbone interact. energy: -0.198
local terms energy: -49.453656
where:
bonds (distance) C4'-P energy: -10.534
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -12.284
tors. eta vs tors. theta energy: 4.348
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: 10
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -85.202225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.202225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.202225 (E_RNA)
where:
Base-Base interactions energy: -38.050
where: short stacking energy: -20.964
Base-Backbone interact. energy: -0.399
local terms energy: -46.752916
where:
bonds (distance) C4'-P energy: -10.637
bonds (distance) P-C4' energy: -10.786
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: -8.503
tors. eta vs tors. theta energy: -2.290
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: 9
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -202.150377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.150377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.150377 (E_RNA)
where:
Base-Base interactions energy: -141.346
where: short stacking energy: -58.708
Base-Backbone interact. energy: -0.017
local terms energy: -60.786461
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -13.290
flat angles C4'-P-C4' energy: -11.573
flat angles P-C4'-P energy: -10.684
tors. eta vs tors. theta energy: -11.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -193.762295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.762295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.762295 (E_RNA)
where:
Base-Base interactions energy: -128.790
where: short stacking energy: -59.062
Base-Backbone interact. energy: -0.477
local terms energy: -64.495222
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -13.116
flat angles C4'-P-C4' energy: -12.021
flat angles P-C4'-P energy: -10.502
tors. eta vs tors. theta energy: -14.852
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: 6
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -197.533809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.533809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.533809 (E_RNA)
where:
Base-Base interactions energy: -125.442
where: short stacking energy: -60.262
Base-Backbone interact. energy: -0.656
local terms energy: -71.435695
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -18.358
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -7.754
tors. eta vs tors. theta energy: -17.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -173.267220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.267220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.267220 (E_RNA)
where:
Base-Base interactions energy: -101.644
where: short stacking energy: -56.092
Base-Backbone interact. energy: -0.030
local terms energy: -71.592994
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -13.489
flat angles C4'-P-C4' energy: -15.442
flat angles P-C4'-P energy: -9.352
tors. eta vs tors. theta energy: -18.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -159.689420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.689420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.689420 (E_RNA)
where:
Base-Base interactions energy: -95.859
where: short stacking energy: -41.278
Base-Backbone interact. energy: -0.780
local terms energy: -63.050463
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -13.856
flat angles P-C4'-P energy: -8.628
tors. eta vs tors. theta energy: -11.205
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: 4
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -161.280137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.280137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.280137 (E_RNA)
where:
Base-Base interactions energy: -111.472
where: short stacking energy: -40.639
Base-Backbone interact. energy: -0.290
local terms energy: -49.518345
where:
bonds (distance) C4'-P energy: -11.343
bonds (distance) P-C4' energy: -10.784
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -6.957
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: 7, replica: 7
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -99.613480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.613480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.613480 (E_RNA)
where:
Base-Base interactions energy: -43.462
where: short stacking energy: -43.462
Base-Backbone interact. energy: -1.180
local terms energy: -54.971515
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -12.300
flat angles C4'-P-C4' energy: -13.434
flat angles P-C4'-P energy: -7.599
tors. eta vs tors. theta energy: -7.490
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: 5
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -98.173743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.173743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.173743 (E_RNA)
where:
Base-Base interactions energy: -44.162
where: short stacking energy: -28.083
Base-Backbone interact. energy: -0.151
local terms energy: -53.861085
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -12.994
flat angles C4'-P-C4' energy: -15.582
flat angles P-C4'-P energy: -4.644
tors. eta vs tors. theta energy: -5.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -79.755877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.755877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.755877 (E_RNA)
where:
Base-Base interactions energy: -29.656
where: short stacking energy: -21.183
Base-Backbone interact. energy: -0.374
local terms energy: -49.725729
where:
bonds (distance) C4'-P energy: -11.503
bonds (distance) P-C4' energy: -12.039
flat angles C4'-P-C4' energy: -15.041
flat angles P-C4'-P energy: -9.494
tors. eta vs tors. theta energy: -1.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -88.625157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.625157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.625157 (E_RNA)
where:
Base-Base interactions energy: -41.703
where: short stacking energy: -29.715
Base-Backbone interact. energy: -0.207
local terms energy: -46.714357
where:
bonds (distance) C4'-P energy: -9.097
bonds (distance) P-C4' energy: -10.591
flat angles C4'-P-C4' energy: -12.190
flat angles P-C4'-P energy: -7.448
tors. eta vs tors. theta energy: -7.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -193.213252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.213252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.213252 (E_RNA)
where:
Base-Base interactions energy: -129.556
where: short stacking energy: -54.648
Base-Backbone interact. energy: -0.055
local terms energy: -63.602505
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -11.574
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -8.095
tors. eta vs tors. theta energy: -16.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -208.644202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.644202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.644202 (E_RNA)
where:
Base-Base interactions energy: -136.072
where: short stacking energy: -60.818
Base-Backbone interact. energy: -1.198
local terms energy: -71.374147
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -16.327
flat angles P-C4'-P energy: -13.533
tors. eta vs tors. theta energy: -8.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -194.132569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.132569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.132569 (E_RNA)
where:
Base-Base interactions energy: -119.829
where: short stacking energy: -62.825
Base-Backbone interact. energy: -0.015
local terms energy: -74.287935
where:
bonds (distance) C4'-P energy: -16.704
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -12.346
flat angles P-C4'-P energy: -10.772
tors. eta vs tors. theta energy: -17.577
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: 1
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -177.049184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.049184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.049184 (E_RNA)
where:
Base-Base interactions energy: -103.868
where: short stacking energy: -64.870
Base-Backbone interact. energy: -0.162
local terms energy: -73.019016
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -16.494
flat angles C4'-P-C4' energy: -15.930
flat angles P-C4'-P energy: -8.681
tors. eta vs tors. theta energy: -16.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -164.485292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.485292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.485292 (E_RNA)
where:
Base-Base interactions energy: -102.766
where: short stacking energy: -45.466
Base-Backbone interact. energy: -0.099
local terms energy: -61.619858
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -13.578
flat angles C4'-P-C4' energy: -12.807
flat angles P-C4'-P energy: -10.385
tors. eta vs tors. theta energy: -8.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -140.379954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.379954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.379954 (E_RNA)
where:
Base-Base interactions energy: -80.573
where: short stacking energy: -39.193
Base-Backbone interact. energy: -0.099
local terms energy: -59.707046
where:
bonds (distance) C4'-P energy: -14.542
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -10.730
flat angles P-C4'-P energy: -7.133
tors. eta vs tors. theta energy: -11.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -97.583258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.583258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.583258 (E_RNA)
where:
Base-Base interactions energy: -50.731
where: short stacking energy: -33.624
Base-Backbone interact. energy: -0.126
local terms energy: -46.726352
where:
bonds (distance) C4'-P energy: -12.642
bonds (distance) P-C4' energy: -11.972
flat angles C4'-P-C4' energy: -9.637
flat angles P-C4'-P energy: -5.585
tors. eta vs tors. theta energy: -6.890
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: 8, replica: 7
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -91.009074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.009074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.009074 (E_RNA)
where:
Base-Base interactions energy: -30.520
where: short stacking energy: -27.968
Base-Backbone interact. energy: -0.106
local terms energy: -60.383528
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -12.163
flat angles P-C4'-P energy: -10.106
tors. eta vs tors. theta energy: -8.082
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: 9, replica: 10
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -88.774684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.774684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.774684 (E_RNA)
where:
Base-Base interactions energy: -33.369
where: short stacking energy: -33.193
Base-Backbone interact. energy: -0.019
local terms energy: -55.387207
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -14.406
flat angles P-C4'-P energy: -6.377
tors. eta vs tors. theta energy: -5.718
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: 8
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -72.721768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.721768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.721768 (E_RNA)
where:
Base-Base interactions energy: -29.861
where: short stacking energy: -17.281
Base-Backbone interact. energy: -0.108
local terms energy: -42.752994
where:
bonds (distance) C4'-P energy: -15.044
bonds (distance) P-C4' energy: -10.237
flat angles C4'-P-C4' energy: -7.455
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -0.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -199.107858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.107858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.107858 (E_RNA)
where:
Base-Base interactions energy: -139.023
where: short stacking energy: -52.417
Base-Backbone interact. energy: -0.070
local terms energy: -60.014701
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -17.010
flat angles C4'-P-C4' energy: -8.710
flat angles P-C4'-P energy: -5.788
tors. eta vs tors. theta energy: -12.823
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: 465
Temperature: 0.950000
Total energy: -198.596368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.596368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.596368 (E_RNA)
where:
Base-Base interactions energy: -130.927
where: short stacking energy: -62.680
Base-Backbone interact. energy: -1.706
local terms energy: -65.963414
where:
bonds (distance) C4'-P energy: -14.638
bonds (distance) P-C4' energy: -12.879
flat angles C4'-P-C4' energy: -11.924
flat angles P-C4'-P energy: -7.244
tors. eta vs tors. theta energy: -19.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -189.435156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.435156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.435156 (E_RNA)
where:
Base-Base interactions energy: -124.182
where: short stacking energy: -52.810
Base-Backbone interact. energy: -0.037
local terms energy: -65.216039
where:
bonds (distance) C4'-P energy: -12.120
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -15.659
flat angles P-C4'-P energy: -9.426
tors. eta vs tors. theta energy: -11.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -165.510005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.510005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.510005 (E_RNA)
where:
Base-Base interactions energy: -100.005
where: short stacking energy: -60.127
Base-Backbone interact. energy: -0.752
local terms energy: -64.753109
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -12.736
flat angles C4'-P-C4' energy: -14.733
flat angles P-C4'-P energy: -10.649
tors. eta vs tors. theta energy: -11.137
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: 4
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -181.057077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.057077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.057077 (E_RNA)
where:
Base-Base interactions energy: -109.967
where: short stacking energy: -57.454
Base-Backbone interact. energy: -0.671
local terms energy: -70.418929
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -14.789
flat angles P-C4'-P energy: -9.074
tors. eta vs tors. theta energy: -16.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -96.598138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.598138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.598138 (E_RNA)
where:
Base-Base interactions energy: -46.677
where: short stacking energy: -34.976
Base-Backbone interact. energy: -0.115
local terms energy: -49.805598
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -11.373
flat angles P-C4'-P energy: -6.813
tors. eta vs tors. theta energy: -0.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -107.314424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.314424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.314424 (E_RNA)
where:
Base-Base interactions energy: -65.744
where: short stacking energy: -20.770
Base-Backbone interact. energy: -0.847
local terms energy: -40.724147
where:
bonds (distance) C4'-P energy: -8.485
bonds (distance) P-C4' energy: -13.872
flat angles C4'-P-C4' energy: -7.991
flat angles P-C4'-P energy: -9.510
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: 8, replica: 7
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -81.315061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.315061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.315061 (E_RNA)
where:
Base-Base interactions energy: -27.172
where: short stacking energy: -24.481
Base-Backbone interact. energy: -0.301
local terms energy: -53.842295
where:
bonds (distance) C4'-P energy: -12.040
bonds (distance) P-C4' energy: -10.549
flat angles C4'-P-C4' energy: -16.793
flat angles P-C4'-P energy: -8.384
tors. eta vs tors. theta energy: -6.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -82.157902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.157902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.157902 (E_RNA)
where:
Base-Base interactions energy: -29.751
where: short stacking energy: -19.711
Base-Backbone interact. energy: 1.116
local terms energy: -53.522569
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -12.873
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -10.589
tors. eta vs tors. theta energy: -0.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -88.438736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.438736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.438736 (E_RNA)
where:
Base-Base interactions energy: -38.687
where: short stacking energy: -17.099
Base-Backbone interact. energy: -0.169
local terms energy: -49.583124
where:
bonds (distance) C4'-P energy: -16.210
bonds (distance) P-C4' energy: -13.621
flat angles C4'-P-C4' energy: -11.158
flat angles P-C4'-P energy: -3.432
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: 2
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -206.560317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.560317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.560317 (E_RNA)
where:
Base-Base interactions energy: -143.884
where: short stacking energy: -57.363
Base-Backbone interact. energy: -0.190
local terms energy: -62.486116
where:
bonds (distance) C4'-P energy: -13.317
bonds (distance) P-C4' energy: -14.923
flat angles C4'-P-C4' energy: -15.983
flat angles P-C4'-P energy: -5.422
tors. eta vs tors. theta energy: -12.841
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: 6
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -171.900280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.900280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.900280 (E_RNA)
where:
Base-Base interactions energy: -108.097
where: short stacking energy: -53.750
Base-Backbone interact. energy: -1.012
local terms energy: -62.790505
where:
bonds (distance) C4'-P energy: -11.341
bonds (distance) P-C4' energy: -12.798
flat angles C4'-P-C4' energy: -12.487
flat angles P-C4'-P energy: -12.360
tors. eta vs tors. theta energy: -13.803
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: 9
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -190.638927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.638927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.638927 (E_RNA)
where:
Base-Base interactions energy: -130.553
where: short stacking energy: -55.327
Base-Backbone interact. energy: -0.473
local terms energy: -59.612703
where:
bonds (distance) C4'-P energy: -14.671
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -9.377
flat angles P-C4'-P energy: -9.384
tors. eta vs tors. theta energy: -11.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -171.174198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.174198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.174198 (E_RNA)
where:
Base-Base interactions energy: -103.623
where: short stacking energy: -57.627
Base-Backbone interact. energy: -0.001
local terms energy: -67.549370
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -13.445
flat angles C4'-P-C4' energy: -15.204
flat angles P-C4'-P energy: -10.571
tors. eta vs tors. theta energy: -13.063
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: 466
Temperature: 1.100000
Total energy: -184.185526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.185526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.185526 (E_RNA)
where:
Base-Base interactions energy: -113.862
where: short stacking energy: -60.229
Base-Backbone interact. energy: -0.094
local terms energy: -70.229512
where:
bonds (distance) C4'-P energy: -15.459
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -15.465
flat angles P-C4'-P energy: -10.011
tors. eta vs tors. theta energy: -14.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -107.242536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.242536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.242536 (E_RNA)
where:
Base-Base interactions energy: -58.354
where: short stacking energy: -33.238
Base-Backbone interact. energy: -0.889
local terms energy: -47.999440
where:
bonds (distance) C4'-P energy: -12.731
bonds (distance) P-C4' energy: -13.826
flat angles C4'-P-C4' energy: -12.018
flat angles P-C4'-P energy: -6.157
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: 7, replica: 7
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -99.672545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.672545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.672545 (E_RNA)
where:
Base-Base interactions energy: -55.518
where: short stacking energy: -35.949
Base-Backbone interact. energy: -0.257
local terms energy: -43.898330
where:
bonds (distance) C4'-P energy: -10.177
bonds (distance) P-C4' energy: -10.993
flat angles C4'-P-C4' energy: -14.567
flat angles P-C4'-P energy: -5.821
tors. eta vs tors. theta energy: -2.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -81.466922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.466922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.466922 (E_RNA)
where:
Base-Base interactions energy: -29.569
where: short stacking energy: -28.343
Base-Backbone interact. energy: -0.575
local terms energy: -51.323321
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -14.062
flat angles C4'-P-C4' energy: -8.724
flat angles P-C4'-P energy: -8.440
tors. eta vs tors. theta energy: -6.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -82.443396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.443396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.443396 (E_RNA)
where:
Base-Base interactions energy: -30.842
where: short stacking energy: -29.935
Base-Backbone interact. energy: -0.003
local terms energy: -51.598302
where:
bonds (distance) C4'-P energy: -11.833
bonds (distance) P-C4' energy: -8.686
flat angles C4'-P-C4' energy: -16.472
flat angles P-C4'-P energy: -6.496
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: 10, replica: 10
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -81.301878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.301878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.301878 (E_RNA)
where:
Base-Base interactions energy: -37.137
where: short stacking energy: -37.895
Base-Backbone interact. energy: -0.093
local terms energy: -44.072642
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -5.027
flat angles P-C4'-P energy: -5.827
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: 1, replica: 2
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -208.720122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.720122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.720122 (E_RNA)
where:
Base-Base interactions energy: -141.872
where: short stacking energy: -66.772
Base-Backbone interact. energy: -0.117
local terms energy: -66.731751
where:
bonds (distance) C4'-P energy: -14.842
bonds (distance) P-C4' energy: -16.958
flat angles C4'-P-C4' energy: -9.651
flat angles P-C4'-P energy: -6.034
tors. eta vs tors. theta energy: -19.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -192.160156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.160156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.160156 (E_RNA)
where:
Base-Base interactions energy: -120.459
where: short stacking energy: -62.948
Base-Backbone interact. energy: -0.331
local terms energy: -71.370301
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -15.309
flat angles C4'-P-C4' energy: -15.726
flat angles P-C4'-P energy: -9.902
tors. eta vs tors. theta energy: -14.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -154.599214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.599214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.599214 (E_RNA)
where:
Base-Base interactions energy: -95.305
where: short stacking energy: -62.657
Base-Backbone interact. energy: -0.023
local terms energy: -59.270436
where:
bonds (distance) C4'-P energy: -15.884
bonds (distance) P-C4' energy: -10.525
flat angles C4'-P-C4' energy: -9.635
flat angles P-C4'-P energy: -10.220
tors. eta vs tors. theta energy: -13.007
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: 4
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -180.399125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.399125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.399125 (E_RNA)
where:
Base-Base interactions energy: -117.913
where: short stacking energy: -49.585
Base-Backbone interact. energy: -0.244
local terms energy: -62.241520
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -11.816
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: -7.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -167.154225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.154225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.154225 (E_RNA)
where:
Base-Base interactions energy: -96.157
where: short stacking energy: -50.097
Base-Backbone interact. energy: -0.153
local terms energy: -70.844667
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -13.592
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: -16.944
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: 7
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -106.874132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.874132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.874132 (E_RNA)
where:
Base-Base interactions energy: -52.242
where: short stacking energy: -43.696
Base-Backbone interact. energy: -0.036
local terms energy: -54.596147
where:
bonds (distance) C4'-P energy: -10.400
bonds (distance) P-C4' energy: -11.056
flat angles C4'-P-C4' energy: -13.288
flat angles P-C4'-P energy: -10.241
tors. eta vs tors. theta energy: -9.611
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: 5
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -105.180282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.180282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.180282 (E_RNA)
where:
Base-Base interactions energy: -50.480
where: short stacking energy: -35.365
Base-Backbone interact. energy: -0.069
local terms energy: -54.630919
where:
bonds (distance) C4'-P energy: -9.073
bonds (distance) P-C4' energy: -13.885
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -11.810
tors. eta vs tors. theta energy: -6.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -111.147017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.147017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.147017 (E_RNA)
where:
Base-Base interactions energy: -54.297
where: short stacking energy: -26.743
Base-Backbone interact. energy: -0.387
local terms energy: -56.462441
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -16.136
flat angles P-C4'-P energy: -8.778
tors. eta vs tors. theta energy: -2.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -138.353047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.353047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.353047 (E_RNA)
where:
Base-Base interactions energy: -90.884
where: short stacking energy: -38.511
Base-Backbone interact. energy: -0.271
local terms energy: -47.197631
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -8.084
flat angles P-C4'-P energy: -6.082
tors. eta vs tors. theta energy: -4.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -74.955382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.955382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.955382 (E_RNA)
where:
Base-Base interactions energy: -29.639
where: short stacking energy: -27.772
Base-Backbone interact. energy: -0.110
local terms energy: -45.205545
where:
bonds (distance) C4'-P energy: -12.464
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -10.679
flat angles P-C4'-P energy: -7.443
tors. eta vs tors. theta energy: -0.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -202.751817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.751817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.751817 (E_RNA)
where:
Base-Base interactions energy: -125.924
where: short stacking energy: -66.728
Base-Backbone interact. energy: -0.003
local terms energy: -76.825136
where:
bonds (distance) C4'-P energy: -16.790
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -9.983
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: 2, replica: 9
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -172.826389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.826389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.826389 (E_RNA)
where:
Base-Base interactions energy: -98.901
where: short stacking energy: -61.132
Base-Backbone interact. energy: -0.912
local terms energy: -73.013611
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -14.543
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: -16.423
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: 4
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -180.169657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.169657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.169657 (E_RNA)
where:
Base-Base interactions energy: -112.359
where: short stacking energy: -52.653
Base-Backbone interact. energy: -0.060
local terms energy: -67.750227
where:
bonds (distance) C4'-P energy: -12.866
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -13.180
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: -16.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -158.697145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.697145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.697145 (E_RNA)
where:
Base-Base interactions energy: -91.906
where: short stacking energy: -44.612
Base-Backbone interact. energy: -0.025
local terms energy: -66.766133
where:
bonds (distance) C4'-P energy: -9.173
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -13.778
tors. eta vs tors. theta energy: -13.638
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: 1
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -157.541558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.541558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.541558 (E_RNA)
where:
Base-Base interactions energy: -98.020
where: short stacking energy: -56.938
Base-Backbone interact. energy: -0.001
local terms energy: -59.519986
where:
bonds (distance) C4'-P energy: -10.974
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -16.027
flat angles P-C4'-P energy: -4.211
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: 7
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -109.645877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.645877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.645877 (E_RNA)
where:
Base-Base interactions energy: -52.130
where: short stacking energy: -40.535
Base-Backbone interact. energy: -0.139
local terms energy: -57.376558
where:
bonds (distance) C4'-P energy: -16.425
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -8.494
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: 7, replica: 8
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -112.445380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.445380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.445380 (E_RNA)
where:
Base-Base interactions energy: -63.055
where: short stacking energy: -28.177
Base-Backbone interact. energy: -0.270
local terms energy: -49.120984
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -13.123
flat angles P-C4'-P energy: -6.953
tors. eta vs tors. theta energy: -2.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -97.782610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.782610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.782610 (E_RNA)
where:
Base-Base interactions energy: -49.288
where: short stacking energy: -41.740
Base-Backbone interact. energy: 0.166
local terms energy: -48.661150
where:
bonds (distance) C4'-P energy: -2.204
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -15.692
flat angles P-C4'-P energy: -10.010
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: 9, replica: 10
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -81.160251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.160251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.160251 (E_RNA)
where:
Base-Base interactions energy: -40.606
where: short stacking energy: -40.143
Base-Backbone interact. energy: -0.083
local terms energy: -40.471770
where:
bonds (distance) C4'-P energy: -7.123
bonds (distance) P-C4' energy: -14.133
flat angles C4'-P-C4' energy: -13.720
flat angles P-C4'-P energy: -7.023
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: 3
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -145.767434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.767434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.767434 (E_RNA)
where:
Base-Base interactions energy: -88.753
where: short stacking energy: -40.964
Base-Backbone interact. energy: -0.128
local terms energy: -56.886631
where:
bonds (distance) C4'-P energy: -15.468
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -11.623
flat angles P-C4'-P energy: -6.912
tors. eta vs tors. theta energy: -5.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -190.921884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.921884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.921884 (E_RNA)
where:
Base-Base interactions energy: -108.966
where: short stacking energy: -70.751
Base-Backbone interact. energy: -0.041
local terms energy: -81.915193
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -17.306
flat angles P-C4'-P energy: -11.760
tors. eta vs tors. theta energy: -19.656
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: 4
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -201.478972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.478972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.478972 (E_RNA)
where:
Base-Base interactions energy: -125.179
where: short stacking energy: -59.938
Base-Backbone interact. energy: -0.194
local terms energy: -76.105825
where:
bonds (distance) C4'-P energy: -12.417
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -16.736
flat angles P-C4'-P energy: -11.340
tors. eta vs tors. theta energy: -19.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -177.214797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.214797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.214797 (E_RNA)
where:
Base-Base interactions energy: -105.415
where: short stacking energy: -39.508
Base-Backbone interact. energy: -1.627
local terms energy: -70.172783
where:
bonds (distance) C4'-P energy: -18.813
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: -11.247
tors. eta vs tors. theta energy: -9.403
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: 6
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -184.751815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.751815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.751815 (E_RNA)
where:
Base-Base interactions energy: -123.776
where: short stacking energy: -59.038
Base-Backbone interact. energy: -0.066
local terms energy: -60.909974
where:
bonds (distance) C4'-P energy: -10.855
bonds (distance) P-C4' energy: -8.179
flat angles C4'-P-C4' energy: -16.265
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -14.948
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: 1
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -163.160477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.160477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.160477 (E_RNA)
where:
Base-Base interactions energy: -108.224
where: short stacking energy: -49.719
Base-Backbone interact. energy: -0.076
local terms energy: -54.860535
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -12.146
flat angles C4'-P-C4' energy: -13.920
flat angles P-C4'-P energy: -5.782
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: 6, replica: 8
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -88.044858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.044858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.044858 (E_RNA)
where:
Base-Base interactions energy: -38.336
where: short stacking energy: -38.336
Base-Backbone interact. energy: -0.173
local terms energy: -49.536198
where:
bonds (distance) C4'-P energy: -11.518
bonds (distance) P-C4' energy: -13.045
flat angles C4'-P-C4' energy: -11.468
flat angles P-C4'-P energy: -7.314
tors. eta vs tors. theta energy: -6.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -106.789943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.789943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.789943 (E_RNA)
where:
Base-Base interactions energy: -53.779
where: short stacking energy: -29.725
Base-Backbone interact. energy: -0.119
local terms energy: -52.891744
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -15.344
flat angles C4'-P-C4' energy: -12.104
flat angles P-C4'-P energy: -3.411
tors. eta vs tors. theta energy: -5.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -91.282419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.282419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.282419 (E_RNA)
where:
Base-Base interactions energy: -43.284
where: short stacking energy: -22.065
Base-Backbone interact. energy: 0.702
local terms energy: -48.699794
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -6.191
flat angles P-C4'-P energy: -7.726
tors. eta vs tors. theta energy: -2.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -104.805590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.805590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.805590 (E_RNA)
where:
Base-Base interactions energy: -42.479
where: short stacking energy: -41.789
Base-Backbone interact. energy: 0.919
local terms energy: -63.246002
where:
bonds (distance) C4'-P energy: -12.481
bonds (distance) P-C4' energy: -14.700
flat angles C4'-P-C4' energy: -13.800
flat angles P-C4'-P energy: -12.220
tors. eta vs tors. theta energy: -10.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -92.858403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.858403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.858403 (E_RNA)
where:
Base-Base interactions energy: -47.590
where: short stacking energy: -27.269
Base-Backbone interact. energy: -0.038
local terms energy: -45.230539
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -10.836
flat angles C4'-P-C4' energy: -9.606
flat angles P-C4'-P energy: -11.895
tors. eta vs tors. theta energy: 0.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -195.621116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.621116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.621116 (E_RNA)
where:
Base-Base interactions energy: -123.718
where: short stacking energy: -57.066
Base-Backbone interact. energy: 0.939
local terms energy: -72.842085
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -13.684
flat angles P-C4'-P energy: -12.560
tors. eta vs tors. theta energy: -16.008
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: 2, replica: 2
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -193.273846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.273846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.273846 (E_RNA)
where:
Base-Base interactions energy: -118.447
where: short stacking energy: -55.854
Base-Backbone interact. energy: -0.335
local terms energy: -74.492193
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -15.415
flat angles C4'-P-C4' energy: -14.915
flat angles P-C4'-P energy: -12.999
tors. eta vs tors. theta energy: -16.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -172.874586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.874586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.874586 (E_RNA)
where:
Base-Base interactions energy: -103.426
where: short stacking energy: -52.569
Base-Backbone interact. energy: -0.345
local terms energy: -69.103341
where:
bonds (distance) C4'-P energy: -15.441
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -14.522
flat angles P-C4'-P energy: -9.017
tors. eta vs tors. theta energy: -13.276
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: 6
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -157.444726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.444726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.444726 (E_RNA)
where:
Base-Base interactions energy: -95.359
where: short stacking energy: -43.987
Base-Backbone interact. energy: 1.839
local terms energy: -63.924767
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -8.081
tors. eta vs tors. theta energy: -10.251
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: 1
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -169.226321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.226321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.226321 (E_RNA)
where:
Base-Base interactions energy: -102.979
where: short stacking energy: -54.011
Base-Backbone interact. energy: -0.280
local terms energy: -65.967626
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -10.846
flat angles C4'-P-C4' energy: -16.549
flat angles P-C4'-P energy: -11.691
tors. eta vs tors. theta energy: -12.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -138.337326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.337326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.337326 (E_RNA)
where:
Base-Base interactions energy: -81.902
where: short stacking energy: -54.744
Base-Backbone interact. energy: -0.680
local terms energy: -55.754991
where:
bonds (distance) C4'-P energy: -10.268
bonds (distance) P-C4' energy: -13.935
flat angles C4'-P-C4' energy: -16.520
flat angles P-C4'-P energy: -5.322
tors. eta vs tors. theta energy: -9.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -134.641653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.641653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.641653 (E_RNA)
where:
Base-Base interactions energy: -72.827
where: short stacking energy: -35.776
Base-Backbone interact. energy: -0.043
local terms energy: -61.771620
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -13.351
flat angles P-C4'-P energy: -9.198
tors. eta vs tors. theta energy: -10.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -85.624042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.624042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.624042 (E_RNA)
where:
Base-Base interactions energy: -36.779
where: short stacking energy: -36.779
Base-Backbone interact. energy: -0.018
local terms energy: -48.826576
where:
bonds (distance) C4'-P energy: -11.063
bonds (distance) P-C4' energy: -12.247
flat angles C4'-P-C4' energy: -14.655
flat angles P-C4'-P energy: -6.259
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: 9, replica: 3
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -82.912309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.912309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.912309 (E_RNA)
where:
Base-Base interactions energy: -29.540
where: short stacking energy: -29.540
Base-Backbone interact. energy: -0.049
local terms energy: -53.323584
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -9.994
flat angles P-C4'-P energy: -3.938
tors. eta vs tors. theta energy: -8.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -82.057071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.057071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.057071 (E_RNA)
where:
Base-Base interactions energy: -39.033
where: short stacking energy: -23.028
Base-Backbone interact. energy: -0.365
local terms energy: -42.658348
where:
bonds (distance) C4'-P energy: -6.721
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -15.024
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: 3.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -203.241076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.241076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.241076 (E_RNA)
where:
Base-Base interactions energy: -125.158
where: short stacking energy: -72.729
Base-Backbone interact. energy: -0.002
local terms energy: -78.080931
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -14.019
flat angles P-C4'-P energy: -13.455
tors. eta vs tors. theta energy: -21.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -183.468991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.468991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.468991 (E_RNA)
where:
Base-Base interactions energy: -125.244
where: short stacking energy: -59.058
Base-Backbone interact. energy: -0.182
local terms energy: -58.043280
where:
bonds (distance) C4'-P energy: -11.850
bonds (distance) P-C4' energy: -13.841
flat angles C4'-P-C4' energy: -12.038
flat angles P-C4'-P energy: -10.632
tors. eta vs tors. theta energy: -9.682
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: 2
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -178.778556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.778556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.778556 (E_RNA)
where:
Base-Base interactions energy: -111.690
where: short stacking energy: -63.002
Base-Backbone interact. energy: -0.003
local terms energy: -67.085815
where:
bonds (distance) C4'-P energy: -12.858
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -11.330
flat angles P-C4'-P energy: -6.808
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: 4, replica: 1
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -167.671884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.671884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.671884 (E_RNA)
where:
Base-Base interactions energy: -108.730
where: short stacking energy: -50.756
Base-Backbone interact. energy: -1.392
local terms energy: -57.549917
where:
bonds (distance) C4'-P energy: -12.646
bonds (distance) P-C4' energy: -12.633
flat angles C4'-P-C4' energy: -13.265
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: -9.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -162.659473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.659473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.659473 (E_RNA)
where:
Base-Base interactions energy: -103.351
where: short stacking energy: -43.334
Base-Backbone interact. energy: -0.006
local terms energy: -59.302370
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -13.197
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -8.787
tors. eta vs tors. theta energy: -8.966
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: 7
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -114.386581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.386581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.386581 (E_RNA)
where:
Base-Base interactions energy: -55.961
where: short stacking energy: -47.610
Base-Backbone interact. energy: -0.246
local terms energy: -58.179747
where:
bonds (distance) C4'-P energy: -15.990
bonds (distance) P-C4' energy: -10.556
flat angles C4'-P-C4' energy: -11.486
flat angles P-C4'-P energy: -10.373
tors. eta vs tors. theta energy: -9.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -103.980648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.980648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.980648 (E_RNA)
where:
Base-Base interactions energy: -52.083
where: short stacking energy: -27.935
Base-Backbone interact. energy: -0.256
local terms energy: -51.641350
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: -6.701
tors. eta vs tors. theta energy: -0.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -87.019485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.019485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.019485 (E_RNA)
where:
Base-Base interactions energy: -34.288
where: short stacking energy: -21.427
Base-Backbone interact. energy: 1.065
local terms energy: -53.795990
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -11.242
flat angles P-C4'-P energy: -6.450
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: 3
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -81.703705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.703705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.703705 (E_RNA)
where:
Base-Base interactions energy: -34.090
where: short stacking energy: -20.314
Base-Backbone interact. energy: -0.901
local terms energy: -46.712631
where:
bonds (distance) C4'-P energy: -13.471
bonds (distance) P-C4' energy: -12.767
flat angles C4'-P-C4' energy: -12.642
flat angles P-C4'-P energy: -5.811
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: 10, replica: 5
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -94.186188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.186188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.186188 (E_RNA)
where:
Base-Base interactions energy: -35.184
where: short stacking energy: -33.425
Base-Backbone interact. energy: -0.032
local terms energy: -58.969909
where:
bonds (distance) C4'-P energy: -15.045
bonds (distance) P-C4' energy: -11.650
flat angles C4'-P-C4' energy: -13.135
flat angles P-C4'-P energy: -11.085
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: 9
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -210.394113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.394113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.394113 (E_RNA)
where:
Base-Base interactions energy: -142.066
where: short stacking energy: -59.312
Base-Backbone interact. energy: -0.970
local terms energy: -67.358020
where:
bonds (distance) C4'-P energy: -10.240
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -14.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -195.045653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.045653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.045653 (E_RNA)
where:
Base-Base interactions energy: -118.008
where: short stacking energy: -72.404
Base-Backbone interact. energy: -0.221
local terms energy: -76.815935
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -15.689
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -13.876
tors. eta vs tors. theta energy: -17.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -176.035478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.035478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.035478 (E_RNA)
where:
Base-Base interactions energy: -109.954
where: short stacking energy: -68.625
Base-Backbone interact. energy: -0.126
local terms energy: -65.955557
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -12.750
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -11.931
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: 4, replica: 2
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -189.141756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.141756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.141756 (E_RNA)
where:
Base-Base interactions energy: -121.520
where: short stacking energy: -64.463
Base-Backbone interact. energy: -0.002
local terms energy: -67.619721
where:
bonds (distance) C4'-P energy: -12.587
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -16.962
flat angles P-C4'-P energy: -5.841
tors. eta vs tors. theta energy: -16.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -123.006213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.006213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.006213 (E_RNA)
where:
Base-Base interactions energy: -68.605
where: short stacking energy: -36.663
Base-Backbone interact. energy: -0.104
local terms energy: -54.297423
where:
bonds (distance) C4'-P energy: -11.552
bonds (distance) P-C4' energy: -14.632
flat angles C4'-P-C4' energy: -12.374
flat angles P-C4'-P energy: -8.963
tors. eta vs tors. theta energy: -6.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -131.450466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.450466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.450466 (E_RNA)
where:
Base-Base interactions energy: -77.298
where: short stacking energy: -36.715
Base-Backbone interact. energy: -0.287
local terms energy: -53.864752
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -12.843
flat angles C4'-P-C4' energy: -9.306
flat angles P-C4'-P energy: -9.469
tors. eta vs tors. theta energy: -7.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -99.968262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.968262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.968262 (E_RNA)
where:
Base-Base interactions energy: -49.478
where: short stacking energy: -46.595
Base-Backbone interact. energy: -0.035
local terms energy: -50.455468
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -9.158
flat angles C4'-P-C4' energy: -9.737
flat angles P-C4'-P energy: -4.217
tors. eta vs tors. theta energy: -12.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -130.694925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.694925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.694925 (E_RNA)
where:
Base-Base interactions energy: -77.692
where: short stacking energy: -37.743
Base-Backbone interact. energy: -0.378
local terms energy: -52.624486
where:
bonds (distance) C4'-P energy: -10.954
bonds (distance) P-C4' energy: -14.697
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -7.579
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: 9, replica: 3
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -85.090784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.090784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.090784 (E_RNA)
where:
Base-Base interactions energy: -38.435
where: short stacking energy: -36.613
Base-Backbone interact. energy: -0.889
local terms energy: -45.766702
where:
bonds (distance) C4'-P energy: -7.810
bonds (distance) P-C4' energy: -11.200
flat angles C4'-P-C4' energy: -9.718
flat angles P-C4'-P energy: -9.091
tors. eta vs tors. theta energy: -7.947
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: 5
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -82.780283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.780283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.780283 (E_RNA)
where:
Base-Base interactions energy: -42.727
where: short stacking energy: -32.655
Base-Backbone interact. energy: -0.766
local terms energy: -39.287526
where:
bonds (distance) C4'-P energy: -6.235
bonds (distance) P-C4' energy: -14.289
flat angles C4'-P-C4' energy: -11.671
flat angles P-C4'-P energy: -2.861
tors. eta vs tors. theta energy: -4.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -212.292157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.292157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.292157 (E_RNA)
where:
Base-Base interactions energy: -136.736
where: short stacking energy: -72.662
Base-Backbone interact. energy: -0.004
local terms energy: -75.552265
where:
bonds (distance) C4'-P energy: -10.410
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -16.938
flat angles P-C4'-P energy: -12.834
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: 2, replica: 4
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -200.745895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.745895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.745895 (E_RNA)
where:
Base-Base interactions energy: -126.794
where: short stacking energy: -60.137
Base-Backbone interact. energy: -0.050
local terms energy: -73.902484
where:
bonds (distance) C4'-P energy: -14.226
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -14.395
flat angles P-C4'-P energy: -9.991
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: 1
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -174.382421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.382421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.382421 (E_RNA)
where:
Base-Base interactions energy: -101.495
where: short stacking energy: -48.882
Base-Backbone interact. energy: -0.320
local terms energy: -72.568202
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -15.641
flat angles C4'-P-C4' energy: -14.381
flat angles P-C4'-P energy: -9.514
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: 4, replica: 2
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -180.943891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.943891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.943891 (E_RNA)
where:
Base-Base interactions energy: -119.081
where: short stacking energy: -46.714
Base-Backbone interact. energy: -0.116
local terms energy: -61.746418
where:
bonds (distance) C4'-P energy: -11.389
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -16.644
flat angles P-C4'-P energy: -7.683
tors. eta vs tors. theta energy: -9.648
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: 5, replica: 6
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -120.903942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.903942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.903942 (E_RNA)
where:
Base-Base interactions energy: -57.948
where: short stacking energy: -51.488
Base-Backbone interact. energy: -0.455
local terms energy: -62.501023
where:
bonds (distance) C4'-P energy: -9.551
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -16.135
flat angles P-C4'-P energy: -11.712
tors. eta vs tors. theta energy: -9.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -146.884497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.884497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.884497 (E_RNA)
where:
Base-Base interactions energy: -81.574
where: short stacking energy: -42.045
Base-Backbone interact. energy: -0.674
local terms energy: -64.636299
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -13.900
flat angles P-C4'-P energy: -10.851
tors. eta vs tors. theta energy: -12.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -95.229158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.229158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.229158 (E_RNA)
where:
Base-Base interactions energy: -38.902
where: short stacking energy: -36.636
Base-Backbone interact. energy: -0.224
local terms energy: -56.103419
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -12.538
flat angles C4'-P-C4' energy: -13.105
flat angles P-C4'-P energy: -8.452
tors. eta vs tors. theta energy: -6.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -90.529218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.529218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.529218 (E_RNA)
where:
Base-Base interactions energy: -36.457
where: short stacking energy: -23.839
Base-Backbone interact. energy: -0.640
local terms energy: -53.431981
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -14.098
flat angles C4'-P-C4' energy: -10.809
flat angles P-C4'-P energy: -8.327
tors. eta vs tors. theta energy: -4.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -121.319259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.319259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.319259 (E_RNA)
where:
Base-Base interactions energy: -64.182
where: short stacking energy: -31.397
Base-Backbone interact. energy: -0.127
local terms energy: -57.010001
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -13.005
flat angles P-C4'-P energy: -7.558
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: 5
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -74.468646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.468646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.468646 (E_RNA)
where:
Base-Base interactions energy: -35.325
where: short stacking energy: -28.681
Base-Backbone interact. energy: -0.097
local terms energy: -39.046427
where:
bonds (distance) C4'-P energy: -4.772
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -9.244
flat angles P-C4'-P energy: -11.197
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: 1, replica: 9
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -212.062101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.062101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.062101 (E_RNA)
where:
Base-Base interactions energy: -135.824
where: short stacking energy: -67.902
Base-Backbone interact. energy: -0.007
local terms energy: -76.230612
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -17.129
flat angles P-C4'-P energy: -10.668
tors. eta vs tors. theta energy: -18.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -201.074568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.074568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.074568 (E_RNA)
where:
Base-Base interactions energy: -126.381
where: short stacking energy: -65.593
Base-Backbone interact. energy: 0.319
local terms energy: -75.012375
where:
bonds (distance) C4'-P energy: -15.314
bonds (distance) P-C4' energy: -16.159
flat angles C4'-P-C4' energy: -15.606
flat angles P-C4'-P energy: -12.203
tors. eta vs tors. theta energy: -15.731
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: 474
Temperature: 1.000000
Total energy: -201.174136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.174136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.174136 (E_RNA)
where:
Base-Base interactions energy: -141.861
where: short stacking energy: -55.295
Base-Backbone interact. energy: -0.499
local terms energy: -58.813854
where:
bonds (distance) C4'-P energy: -15.165
bonds (distance) P-C4' energy: -12.523
flat angles C4'-P-C4' energy: -15.397
flat angles P-C4'-P energy: -4.108
tors. eta vs tors. theta energy: -11.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -156.656385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.656385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.656385 (E_RNA)
where:
Base-Base interactions energy: -89.956
where: short stacking energy: -46.927
Base-Backbone interact. energy: 0.116
local terms energy: -66.815876
where:
bonds (distance) C4'-P energy: -12.786
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -16.019
flat angles P-C4'-P energy: -12.756
tors. eta vs tors. theta energy: -10.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -170.264909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.264909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.264909 (E_RNA)
where:
Base-Base interactions energy: -104.485
where: short stacking energy: -56.230
Base-Backbone interact. energy: -0.079
local terms energy: -65.700697
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -13.903
flat angles P-C4'-P energy: -8.936
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: 6
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -88.904334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.904334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.904334 (E_RNA)
where:
Base-Base interactions energy: -40.033
where: short stacking energy: -37.748
Base-Backbone interact. energy: -0.179
local terms energy: -48.692976
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -12.570
flat angles P-C4'-P energy: -0.921
tors. eta vs tors. theta energy: -4.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -102.999960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.999960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.999960 (E_RNA)
where:
Base-Base interactions energy: -49.509
where: short stacking energy: -28.445
Base-Backbone interact. energy: -0.202
local terms energy: -53.289201
where:
bonds (distance) C4'-P energy: -8.286
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -11.303
flat angles P-C4'-P energy: -11.425
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: 10
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -94.315430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.315430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.315430 (E_RNA)
where:
Base-Base interactions energy: -37.845
where: short stacking energy: -35.954
Base-Backbone interact. energy: -0.389
local terms energy: -56.081933
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -11.433
flat angles C4'-P-C4' energy: -13.424
flat angles P-C4'-P energy: -7.923
tors. eta vs tors. theta energy: -10.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -88.117138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.117138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.117138 (E_RNA)
where:
Base-Base interactions energy: -37.684
where: short stacking energy: -29.957
Base-Backbone interact. energy: -0.123
local terms energy: -50.310250
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -14.104
flat angles C4'-P-C4' energy: -9.540
flat angles P-C4'-P energy: -6.993
tors. eta vs tors. theta energy: -6.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -92.934294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.934294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.934294 (E_RNA)
where:
Base-Base interactions energy: -43.565
where: short stacking energy: -24.273
Base-Backbone interact. energy: -0.334
local terms energy: -49.035756
where:
bonds (distance) C4'-P energy: -11.561
bonds (distance) P-C4' energy: -11.917
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: -8.193
tors. eta vs tors. theta energy: -3.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -201.438207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.438207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.438207 (E_RNA)
where:
Base-Base interactions energy: -131.928
where: short stacking energy: -63.384
Base-Backbone interact. energy: -0.002
local terms energy: -69.508709
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -14.348
flat angles C4'-P-C4' energy: -16.598
flat angles P-C4'-P energy: -7.437
tors. eta vs tors. theta energy: -16.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -204.799240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.799240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.799240 (E_RNA)
where:
Base-Base interactions energy: -138.994
where: short stacking energy: -53.893
Base-Backbone interact. energy: -0.023
local terms energy: -65.781607
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -16.223
flat angles C4'-P-C4' energy: -15.291
flat angles P-C4'-P energy: -8.576
tors. eta vs tors. theta energy: -10.488
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: 3, replica: 4
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -206.324902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.324902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.324902 (E_RNA)
where:
Base-Base interactions energy: -141.205
where: short stacking energy: -66.513
Base-Backbone interact. energy: -0.003
local terms energy: -65.116351
where:
bonds (distance) C4'-P energy: -12.885
bonds (distance) P-C4' energy: -14.098
flat angles C4'-P-C4' energy: -14.713
flat angles P-C4'-P energy: -8.845
tors. eta vs tors. theta energy: -14.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -163.403832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.403832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.403832 (E_RNA)
where:
Base-Base interactions energy: -97.457
where: short stacking energy: -45.873
Base-Backbone interact. energy: -0.127
local terms energy: -65.819940
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -14.118
flat angles P-C4'-P energy: -13.169
tors. eta vs tors. theta energy: -7.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -156.570564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.570564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.570564 (E_RNA)
where:
Base-Base interactions energy: -96.402
where: short stacking energy: -45.860
Base-Backbone interact. energy: -0.322
local terms energy: -59.846223
where:
bonds (distance) C4'-P energy: -12.065
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -14.798
flat angles P-C4'-P energy: -7.253
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: 6, replica: 3
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -105.043722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.043722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.043722 (E_RNA)
where:
Base-Base interactions energy: -54.603
where: short stacking energy: -40.041
Base-Backbone interact. energy: -0.024
local terms energy: -50.416609
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -13.668
flat angles P-C4'-P energy: -6.530
tors. eta vs tors. theta energy: -3.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -104.316316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.316316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.316316 (E_RNA)
where:
Base-Base interactions energy: -49.033
where: short stacking energy: -30.208
Base-Backbone interact. energy: 0.019
local terms energy: -55.301779
where:
bonds (distance) C4'-P energy: -17.121
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -8.928
flat angles P-C4'-P energy: -8.473
tors. eta vs tors. theta energy: -4.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -83.484570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.484570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.484570 (E_RNA)
where:
Base-Base interactions energy: -37.444
where: short stacking energy: -16.305
Base-Backbone interact. energy: -0.876
local terms energy: -45.165520
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -11.290
flat angles P-C4'-P energy: -3.920
tors. eta vs tors. theta energy: -0.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -100.747415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.747415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.747415 (E_RNA)
where:
Base-Base interactions energy: -47.944
where: short stacking energy: -32.629
Base-Backbone interact. energy: -0.007
local terms energy: -52.796789
where:
bonds (distance) C4'-P energy: -14.816
bonds (distance) P-C4' energy: -17.423
flat angles C4'-P-C4' energy: -10.976
flat angles P-C4'-P energy: -6.152
tors. eta vs tors. theta energy: -3.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -87.351143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.351143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.351143 (E_RNA)
where:
Base-Base interactions energy: -40.536
where: short stacking energy: -33.680
Base-Backbone interact. energy: 0.191
local terms energy: -47.006573
where:
bonds (distance) C4'-P energy: -9.318
bonds (distance) P-C4' energy: -14.627
flat angles C4'-P-C4' energy: -9.215
flat angles P-C4'-P energy: -8.281
tors. eta vs tors. theta energy: -5.566
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: 1, replica: 2
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -209.515854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.515854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.515854 (E_RNA)
where:
Base-Base interactions energy: -140.156
where: short stacking energy: -53.881
Base-Backbone interact. energy: -0.066
local terms energy: -69.294346
where:
bonds (distance) C4'-P energy: -16.217
bonds (distance) P-C4' energy: -14.128
flat angles C4'-P-C4' energy: -17.123
flat angles P-C4'-P energy: -10.419
tors. eta vs tors. theta energy: -11.407
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: 476
Temperature: 0.950000
Total energy: -193.008915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.008915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.008915 (E_RNA)
where:
Base-Base interactions energy: -117.497
where: short stacking energy: -52.660
Base-Backbone interact. energy: -0.105
local terms energy: -75.406568
where:
bonds (distance) C4'-P energy: -15.290
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -16.971
flat angles P-C4'-P energy: -8.943
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: 4
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -197.566486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.566486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.566486 (E_RNA)
where:
Base-Base interactions energy: -124.875
where: short stacking energy: -62.575
Base-Backbone interact. energy: -0.037
local terms energy: -72.655124
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -15.757
flat angles P-C4'-P energy: -9.305
tors. eta vs tors. theta energy: -17.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -180.694886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.694886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.694886 (E_RNA)
where:
Base-Base interactions energy: -107.154
where: short stacking energy: -59.371
Base-Backbone interact. energy: -0.024
local terms energy: -73.516957
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -11.373
flat angles C4'-P-C4' energy: -18.799
flat angles P-C4'-P energy: -13.787
tors. eta vs tors. theta energy: -15.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -105.088594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.088594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.088594 (E_RNA)
where:
Base-Base interactions energy: -53.104
where: short stacking energy: -40.602
Base-Backbone interact. energy: -0.277
local terms energy: -51.707537
where:
bonds (distance) C4'-P energy: -17.159
bonds (distance) P-C4' energy: -13.184
flat angles C4'-P-C4' energy: -3.402
flat angles P-C4'-P energy: -9.584
tors. eta vs tors. theta energy: -8.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -128.368616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.368616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.368616 (E_RNA)
where:
Base-Base interactions energy: -73.514
where: short stacking energy: -42.831
Base-Backbone interact. energy: -0.274
local terms energy: -54.579972
where:
bonds (distance) C4'-P energy: -11.036
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -15.204
flat angles P-C4'-P energy: -8.433
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: 7, replica: 8
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -88.183123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.183123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.183123 (E_RNA)
where:
Base-Base interactions energy: -40.085
where: short stacking energy: -39.343
Base-Backbone interact. energy: -0.397
local terms energy: -47.701713
where:
bonds (distance) C4'-P energy: -9.603
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -9.322
flat angles P-C4'-P energy: -7.441
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: 8, replica: 6
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -134.328088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.328088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.328088 (E_RNA)
where:
Base-Base interactions energy: -78.797
where: short stacking energy: -39.958
Base-Backbone interact. energy: -0.090
local terms energy: -55.440786
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -12.705
flat angles P-C4'-P energy: -9.965
tors. eta vs tors. theta energy: -4.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -96.428503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.428503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.428503 (E_RNA)
where:
Base-Base interactions energy: -35.983
where: short stacking energy: -31.295
Base-Backbone interact. energy: -0.012
local terms energy: -60.433176
where:
bonds (distance) C4'-P energy: -7.830
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -14.969
flat angles P-C4'-P energy: -14.734
tors. eta vs tors. theta energy: -5.846
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: 10, replica: 10
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -78.776942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.776942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.776942 (E_RNA)
where:
Base-Base interactions energy: -30.428
where: short stacking energy: -18.501
Base-Backbone interact. energy: -0.105
local terms energy: -48.244549
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -14.249
flat angles P-C4'-P energy: -2.693
tors. eta vs tors. theta energy: -2.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -208.577872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.577872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.577872 (E_RNA)
where:
Base-Base interactions energy: -132.872
where: short stacking energy: -67.635
Base-Backbone interact. energy: -0.285
local terms energy: -75.420916
where:
bonds (distance) C4'-P energy: -15.443
bonds (distance) P-C4' energy: -17.004
flat angles C4'-P-C4' energy: -17.279
flat angles P-C4'-P energy: -9.507
tors. eta vs tors. theta energy: -16.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -196.068995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.068995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.068995 (E_RNA)
where:
Base-Base interactions energy: -122.540
where: short stacking energy: -57.603
Base-Backbone interact. energy: -0.086
local terms energy: -73.442709
where:
bonds (distance) C4'-P energy: -15.152
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -11.580
flat angles P-C4'-P energy: -13.533
tors. eta vs tors. theta energy: -15.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -186.411441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.411441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.411441 (E_RNA)
where:
Base-Base interactions energy: -114.007
where: short stacking energy: -51.465
Base-Backbone interact. energy: -0.048
local terms energy: -72.356061
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -15.413
flat angles P-C4'-P energy: -9.489
tors. eta vs tors. theta energy: -15.717
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: 7
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -157.935451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.935451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.935451 (E_RNA)
where:
Base-Base interactions energy: -90.229
where: short stacking energy: -46.323
Base-Backbone interact. energy: -0.000
local terms energy: -67.706269
where:
bonds (distance) C4'-P energy: -13.886
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -13.237
flat angles P-C4'-P energy: -9.531
tors. eta vs tors. theta energy: -15.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -151.803002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.803002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.803002 (E_RNA)
where:
Base-Base interactions energy: -88.737
where: short stacking energy: -45.853
Base-Backbone interact. energy: -0.258
local terms energy: -62.807588
where:
bonds (distance) C4'-P energy: -10.844
bonds (distance) P-C4' energy: -18.376
flat angles C4'-P-C4' energy: -13.168
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: -11.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -157.996032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.996032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.996032 (E_RNA)
where:
Base-Base interactions energy: -99.333
where: short stacking energy: -55.154
Base-Backbone interact. energy: -0.180
local terms energy: -58.482465
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -11.781
flat angles P-C4'-P energy: -5.065
tors. eta vs tors. theta energy: -13.905
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: 8
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -94.523840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.523840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.523840 (E_RNA)
where:
Base-Base interactions energy: -38.872
where: short stacking energy: -28.916
Base-Backbone interact. energy: -0.222
local terms energy: -55.429704
where:
bonds (distance) C4'-P energy: -16.211
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -12.344
flat angles P-C4'-P energy: -6.758
tors. eta vs tors. theta energy: -2.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -125.257349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.257349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.257349 (E_RNA)
where:
Base-Base interactions energy: -78.162
where: short stacking energy: -40.639
Base-Backbone interact. energy: -0.066
local terms energy: -47.029309
where:
bonds (distance) C4'-P energy: -10.791
bonds (distance) P-C4' energy: -11.028
flat angles C4'-P-C4' energy: -15.173
flat angles P-C4'-P energy: -4.140
tors. eta vs tors. theta energy: -5.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -85.533846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.533846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.533846 (E_RNA)
where:
Base-Base interactions energy: -35.715
where: short stacking energy: -26.258
Base-Backbone interact. energy: -0.863
local terms energy: -48.955039
where:
bonds (distance) C4'-P energy: -9.208
bonds (distance) P-C4' energy: -13.065
flat angles C4'-P-C4' energy: -18.012
flat angles P-C4'-P energy: -5.821
tors. eta vs tors. theta energy: -2.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -78.521113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.521113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.521113 (E_RNA)
where:
Base-Base interactions energy: -28.912
where: short stacking energy: -22.790
Base-Backbone interact. energy: -0.548
local terms energy: -49.061143
where:
bonds (distance) C4'-P energy: -7.031
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -13.525
flat angles P-C4'-P energy: -5.781
tors. eta vs tors. theta energy: -5.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -213.725264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.725264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.725264 (E_RNA)
where:
Base-Base interactions energy: -139.660
where: short stacking energy: -69.453
Base-Backbone interact. energy: -0.697
local terms energy: -73.368987
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -16.615
flat angles P-C4'-P energy: -6.630
tors. eta vs tors. theta energy: -19.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -202.976579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.976579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.976579 (E_RNA)
where:
Base-Base interactions energy: -131.033
where: short stacking energy: -64.273
Base-Backbone interact. energy: -0.043
local terms energy: -71.900445
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -14.389
flat angles P-C4'-P energy: -8.036
tors. eta vs tors. theta energy: -18.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -160.858866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.858866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.858866 (E_RNA)
where:
Base-Base interactions energy: -100.477
where: short stacking energy: -46.407
Base-Backbone interact. energy: -1.811
local terms energy: -58.571129
where:
bonds (distance) C4'-P energy: -15.093
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -12.028
flat angles P-C4'-P energy: -6.248
tors. eta vs tors. theta energy: -9.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -169.576538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.576538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.576538 (E_RNA)
where:
Base-Base interactions energy: -113.983
where: short stacking energy: -49.044
Base-Backbone interact. energy: -0.072
local terms energy: -55.521361
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -13.269
flat angles C4'-P-C4' energy: -11.772
flat angles P-C4'-P energy: -7.038
tors. eta vs tors. theta energy: -8.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -148.078157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.078157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.078157 (E_RNA)
where:
Base-Base interactions energy: -85.240
where: short stacking energy: -51.204
Base-Backbone interact. energy: -0.680
local terms energy: -62.157543
where:
bonds (distance) C4'-P energy: -12.812
bonds (distance) P-C4' energy: -14.059
flat angles C4'-P-C4' energy: -15.704
flat angles P-C4'-P energy: -6.639
tors. eta vs tors. theta energy: -12.944
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: 478
Temperature: 1.150000
Total energy: -174.923060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.923060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.923060 (E_RNA)
where:
Base-Base interactions energy: -115.952
where: short stacking energy: -63.078
Base-Backbone interact. energy: -0.307
local terms energy: -58.663569
where:
bonds (distance) C4'-P energy: -7.971
bonds (distance) P-C4' energy: -13.267
flat angles C4'-P-C4' energy: -13.520
flat angles P-C4'-P energy: -10.485
tors. eta vs tors. theta energy: -13.420
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: 6
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -96.009510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.009510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.009510 (E_RNA)
where:
Base-Base interactions energy: -41.653
where: short stacking energy: -32.632
Base-Backbone interact. energy: -0.254
local terms energy: -54.102090
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -12.384
flat angles C4'-P-C4' energy: -13.298
flat angles P-C4'-P energy: -9.478
tors. eta vs tors. theta energy: -5.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -81.906089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.906089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.906089 (E_RNA)
where:
Base-Base interactions energy: -34.475
where: short stacking energy: -26.485
Base-Backbone interact. energy: 0.422
local terms energy: -47.853320
where:
bonds (distance) C4'-P energy: -12.382
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -16.001
flat angles P-C4'-P energy: -5.252
tors. eta vs tors. theta energy: -1.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -81.104868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.104868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.104868 (E_RNA)
where:
Base-Base interactions energy: -30.908
where: short stacking energy: -23.485
Base-Backbone interact. energy: 0.069
local terms energy: -50.265689
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -11.961
flat angles P-C4'-P energy: -8.759
tors. eta vs tors. theta energy: -1.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -70.948630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.948630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.948630 (E_RNA)
where:
Base-Base interactions energy: -21.405
where: short stacking energy: -18.548
Base-Backbone interact. energy: 0.128
local terms energy: -49.671970
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -9.690
flat angles P-C4'-P energy: -9.109
tors. eta vs tors. theta energy: -4.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -211.788808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.788808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.788808 (E_RNA)
where:
Base-Base interactions energy: -135.637
where: short stacking energy: -58.425
Base-Backbone interact. energy: -0.003
local terms energy: -76.149189
where:
bonds (distance) C4'-P energy: -17.149
bonds (distance) P-C4' energy: -15.069
flat angles C4'-P-C4' energy: -16.288
flat angles P-C4'-P energy: -11.542
tors. eta vs tors. theta energy: -16.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -205.074479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.074479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.074479 (E_RNA)
where:
Base-Base interactions energy: -136.548
where: short stacking energy: -64.963
Base-Backbone interact. energy: -0.221
local terms energy: -68.305782
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -14.954
flat angles C4'-P-C4' energy: -13.147
flat angles P-C4'-P energy: -6.231
tors. eta vs tors. theta energy: -18.927
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: 7
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -160.660839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.660839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.660839 (E_RNA)
where:
Base-Base interactions energy: -94.595
where: short stacking energy: -53.373
Base-Backbone interact. energy: -0.204
local terms energy: -65.861810
where:
bonds (distance) C4'-P energy: -13.489
bonds (distance) P-C4' energy: -18.641
flat angles C4'-P-C4' energy: -14.813
flat angles P-C4'-P energy: -5.230
tors. eta vs tors. theta energy: -13.689
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: 3
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -161.018547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.018547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.018547 (E_RNA)
where:
Base-Base interactions energy: -91.205
where: short stacking energy: -56.797
Base-Backbone interact. energy: -0.000
local terms energy: -69.813412
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -15.405
flat angles P-C4'-P energy: -9.709
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: 5, replica: 9
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -145.764391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.764391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.764391 (E_RNA)
where:
Base-Base interactions energy: -84.879
where: short stacking energy: -40.718
Base-Backbone interact. energy: -0.220
local terms energy: -60.665485
where:
bonds (distance) C4'-P energy: -11.139
bonds (distance) P-C4' energy: -14.426
flat angles C4'-P-C4' energy: -14.948
flat angles P-C4'-P energy: -10.686
tors. eta vs tors. theta energy: -9.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -142.028544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.028544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.028544 (E_RNA)
where:
Base-Base interactions energy: -84.373
where: short stacking energy: -48.895
Base-Backbone interact. energy: -0.113
local terms energy: -57.542573
where:
bonds (distance) C4'-P energy: -12.359
bonds (distance) P-C4' energy: -12.777
flat angles C4'-P-C4' energy: -13.344
flat angles P-C4'-P energy: -7.181
tors. eta vs tors. theta energy: -11.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -90.257236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.257236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.257236 (E_RNA)
where:
Base-Base interactions energy: -35.125
where: short stacking energy: -28.595
Base-Backbone interact. energy: -0.155
local terms energy: -54.977067
where:
bonds (distance) C4'-P energy: -10.318
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -11.764
flat angles P-C4'-P energy: -9.659
tors. eta vs tors. theta energy: -6.555
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: 10
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -112.770124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.770124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.770124 (E_RNA)
where:
Base-Base interactions energy: -71.869
where: short stacking energy: -28.943
Base-Backbone interact. energy: -0.373
local terms energy: -40.528056
where:
bonds (distance) C4'-P energy: -11.390
bonds (distance) P-C4' energy: -15.045
flat angles C4'-P-C4' energy: -13.728
flat angles P-C4'-P energy: -1.616
tors. eta vs tors. theta energy: 1.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -88.590175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.590175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.590175 (E_RNA)
where:
Base-Base interactions energy: -33.997
where: short stacking energy: -31.389
Base-Backbone interact. energy: 0.302
local terms energy: -54.894825
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -8.485
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: 10, replica: 5
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -75.321293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.321293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.321293 (E_RNA)
where:
Base-Base interactions energy: -33.829
where: short stacking energy: -30.650
Base-Backbone interact. energy: 1.747
local terms energy: -43.239274
where:
bonds (distance) C4'-P energy: -9.888
bonds (distance) P-C4' energy: -12.396
flat angles C4'-P-C4' energy: -11.241
flat angles P-C4'-P energy: -3.088
tors. eta vs tors. theta energy: -6.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -208.147511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.147511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.147511 (E_RNA)
where:
Base-Base interactions energy: -142.160
where: short stacking energy: -49.242
Base-Backbone interact. energy: -0.196
local terms energy: -65.790957
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -13.896
flat angles C4'-P-C4' energy: -13.721
flat angles P-C4'-P energy: -8.723
tors. eta vs tors. theta energy: -13.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -206.701400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.701400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.701400 (E_RNA)
where:
Base-Base interactions energy: -145.198
where: short stacking energy: -54.157
Base-Backbone interact. energy: -0.025
local terms energy: -61.477654
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -14.657
flat angles C4'-P-C4' energy: -11.280
flat angles P-C4'-P energy: -4.325
tors. eta vs tors. theta energy: -17.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -168.788406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.788406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.788406 (E_RNA)
where:
Base-Base interactions energy: -103.873
where: short stacking energy: -49.325
Base-Backbone interact. energy: -0.071
local terms energy: -64.844283
where:
bonds (distance) C4'-P energy: -14.656
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -6.909
tors. eta vs tors. theta energy: -12.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -157.939431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.939431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.939431 (E_RNA)
where:
Base-Base interactions energy: -98.568
where: short stacking energy: -51.807
Base-Backbone interact. energy: -0.032
local terms energy: -59.338802
where:
bonds (distance) C4'-P energy: -11.233
bonds (distance) P-C4' energy: -14.393
flat angles C4'-P-C4' energy: -8.111
flat angles P-C4'-P energy: -11.779
tors. eta vs tors. theta energy: -13.822
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: 9
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -164.442586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.442586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.442586 (E_RNA)
where:
Base-Base interactions energy: -106.661
where: short stacking energy: -32.583
Base-Backbone interact. energy: 0.095
local terms energy: -57.876130
where:
bonds (distance) C4'-P energy: -15.559
bonds (distance) P-C4' energy: -13.657
flat angles C4'-P-C4' energy: -11.724
flat angles P-C4'-P energy: -9.530
tors. eta vs tors. theta energy: -7.407
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: 1
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -149.950351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.950351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.950351 (E_RNA)
where:
Base-Base interactions energy: -93.670
where: short stacking energy: -46.059
Base-Backbone interact. energy: -0.657
local terms energy: -55.623333
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -8.630
flat angles P-C4'-P energy: -9.550
tors. eta vs tors. theta energy: -8.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -138.038013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.038013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.038013 (E_RNA)
where:
Base-Base interactions energy: -75.255
where: short stacking energy: -38.583
Base-Backbone interact. energy: -0.253
local terms energy: -62.530542
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -15.243
flat angles P-C4'-P energy: -10.555
tors. eta vs tors. theta energy: -4.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -89.123275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.123275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.123275 (E_RNA)
where:
Base-Base interactions energy: -38.326
where: short stacking energy: -32.743
Base-Backbone interact. energy: -0.015
local terms energy: -50.782102
where:
bonds (distance) C4'-P energy: -10.194
bonds (distance) P-C4' energy: -17.213
flat angles C4'-P-C4' energy: -11.556
flat angles P-C4'-P energy: -7.090
tors. eta vs tors. theta energy: -4.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -90.563752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.563752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.563752 (E_RNA)
where:
Base-Base interactions energy: -39.157
where: short stacking energy: -31.256
Base-Backbone interact. energy: -0.912
local terms energy: -50.494505
where:
bonds (distance) C4'-P energy: -12.040
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -13.721
flat angles P-C4'-P energy: -8.491
tors. eta vs tors. theta energy: -1.403
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: 480
Temperature: 1.350000
Total energy: -82.296905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.296905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.296905 (E_RNA)
where:
Base-Base interactions energy: -32.928
where: short stacking energy: -20.958
Base-Backbone interact. energy: -0.581
local terms energy: -48.786971
where:
bonds (distance) C4'-P energy: -13.958
bonds (distance) P-C4' energy: -11.629
flat angles C4'-P-C4' energy: -12.299
flat angles P-C4'-P energy: -6.477
tors. eta vs tors. theta energy: -4.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -204.211774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.211774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.211774 (E_RNA)
where:
Base-Base interactions energy: -135.913
where: short stacking energy: -53.206
Base-Backbone interact. energy: 2.994
local terms energy: -71.292373
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -16.818
flat angles P-C4'-P energy: -11.069
tors. eta vs tors. theta energy: -13.510
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: 2
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -203.500367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.500367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.500367 (E_RNA)
where:
Base-Base interactions energy: -136.106
where: short stacking energy: -57.382
Base-Backbone interact. energy: -0.015
local terms energy: -67.379108
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -15.049
flat angles C4'-P-C4' energy: -13.961
flat angles P-C4'-P energy: -7.626
tors. eta vs tors. theta energy: -13.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -194.187699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.187699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.187699 (E_RNA)
where:
Base-Base interactions energy: -129.178
where: short stacking energy: -50.550
Base-Backbone interact. energy: -0.906
local terms energy: -64.103155
where:
bonds (distance) C4'-P energy: -10.454
bonds (distance) P-C4' energy: -15.768
flat angles C4'-P-C4' energy: -11.681
flat angles P-C4'-P energy: -12.921
tors. eta vs tors. theta energy: -13.280
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: 9
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -176.083167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.083167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.083167 (E_RNA)
where:
Base-Base interactions energy: -101.776
where: short stacking energy: -55.728
Base-Backbone interact. energy: -0.062
local terms energy: -74.245211
where:
bonds (distance) C4'-P energy: -17.224
bonds (distance) P-C4' energy: -14.114
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -11.045
tors. eta vs tors. theta energy: -15.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -137.152992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.152992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.152992 (E_RNA)
where:
Base-Base interactions energy: -85.930
where: short stacking energy: -45.063
Base-Backbone interact. energy: -0.254
local terms energy: -50.968885
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -13.259
flat angles C4'-P-C4' energy: -12.771
flat angles P-C4'-P energy: -2.978
tors. eta vs tors. theta energy: -8.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -151.621461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.621461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.621461 (E_RNA)
where:
Base-Base interactions energy: -83.312
where: short stacking energy: -48.829
Base-Backbone interact. energy: -0.567
local terms energy: -67.742111
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -13.669
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -12.389
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: 7, replica: 1
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -144.426301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.426301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.426301 (E_RNA)
where:
Base-Base interactions energy: -83.874
where: short stacking energy: -39.873
Base-Backbone interact. energy: -0.313
local terms energy: -60.239655
where:
bonds (distance) C4'-P energy: -13.976
bonds (distance) P-C4' energy: -16.889
flat angles C4'-P-C4' energy: -13.864
flat angles P-C4'-P energy: -7.190
tors. eta vs tors. theta energy: -8.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -87.705729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.705729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.705729 (E_RNA)
where:
Base-Base interactions energy: -35.474
where: short stacking energy: -27.067
Base-Backbone interact. energy: -0.200
local terms energy: -52.031623
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -16.518
flat angles C4'-P-C4' energy: -11.964
flat angles P-C4'-P energy: -10.894
tors. eta vs tors. theta energy: 1.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -87.714839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.714839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.714839 (E_RNA)
where:
Base-Base interactions energy: -45.118
where: short stacking energy: -35.363
Base-Backbone interact. energy: -0.410
local terms energy: -42.186282
where:
bonds (distance) C4'-P energy: -10.754
bonds (distance) P-C4' energy: -11.933
flat angles C4'-P-C4' energy: -6.506
flat angles P-C4'-P energy: -7.747
tors. eta vs tors. theta energy: -5.247
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: 10, replica: 8
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -85.213381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.213381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.213381 (E_RNA)
where:
Base-Base interactions energy: -35.556
where: short stacking energy: -29.288
Base-Backbone interact. energy: -0.177
local terms energy: -49.480013
where:
bonds (distance) C4'-P energy: -12.145
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -12.555
flat angles P-C4'-P energy: -7.955
tors. eta vs tors. theta energy: -0.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -208.673066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.673066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.673066 (E_RNA)
where:
Base-Base interactions energy: -141.514
where: short stacking energy: -60.373
Base-Backbone interact. energy: -0.042
local terms energy: -67.117008
where:
bonds (distance) C4'-P energy: -13.193
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -10.629
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: -15.948
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: 2, replica: 4
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -210.563791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.563791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.563791 (E_RNA)
where:
Base-Base interactions energy: -139.983
where: short stacking energy: -65.613
Base-Backbone interact. energy: -0.049
local terms energy: -70.531860
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -16.679
flat angles P-C4'-P energy: -6.682
tors. eta vs tors. theta energy: -19.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -194.776912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.776912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.776912 (E_RNA)
where:
Base-Base interactions energy: -124.721
where: short stacking energy: -51.293
Base-Backbone interact. energy: -0.338
local terms energy: -69.717753
where:
bonds (distance) C4'-P energy: -13.808
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -9.797
flat angles P-C4'-P energy: -12.409
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: 4, replica: 9
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -178.059467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.059467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.059467 (E_RNA)
where:
Base-Base interactions energy: -111.336
where: short stacking energy: -57.750
Base-Backbone interact. energy: -0.039
local terms energy: -66.684366
where:
bonds (distance) C4'-P energy: -13.407
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -11.419
flat angles P-C4'-P energy: -10.897
tors. eta vs tors. theta energy: -14.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -151.836054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.836054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.836054 (E_RNA)
where:
Base-Base interactions energy: -86.689
where: short stacking energy: -36.449
Base-Backbone interact. energy: -0.714
local terms energy: -64.432615
where:
bonds (distance) C4'-P energy: -13.096
bonds (distance) P-C4' energy: -17.904
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -6.474
tors. eta vs tors. theta energy: -12.571
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: 3
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -99.082185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.082185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.082185 (E_RNA)
where:
Base-Base interactions energy: -44.214
where: short stacking energy: -39.589
Base-Backbone interact. energy: -0.277
local terms energy: -54.590679
where:
bonds (distance) C4'-P energy: -12.405
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -16.798
flat angles P-C4'-P energy: -9.756
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: 7, replica: 1
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -96.212288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.212288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.212288 (E_RNA)
where:
Base-Base interactions energy: -36.789
where: short stacking energy: -35.810
Base-Backbone interact. energy: -0.012
local terms energy: -59.411533
where:
bonds (distance) C4'-P energy: -14.988
bonds (distance) P-C4' energy: -14.574
flat angles C4'-P-C4' energy: -13.375
flat angles P-C4'-P energy: -9.643
tors. eta vs tors. theta energy: -6.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -92.987782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.987782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.987782 (E_RNA)
where:
Base-Base interactions energy: -45.093
where: short stacking energy: -30.385
Base-Backbone interact. energy: 0.400
local terms energy: -48.294878
where:
bonds (distance) C4'-P energy: -11.350
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -6.537
flat angles P-C4'-P energy: -7.649
tors. eta vs tors. theta energy: -5.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -87.740598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.740598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.740598 (E_RNA)
where:
Base-Base interactions energy: -31.758
where: short stacking energy: -30.232
Base-Backbone interact. energy: -0.056
local terms energy: -55.926922
where:
bonds (distance) C4'-P energy: -16.202
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -16.778
flat angles P-C4'-P energy: -7.859
tors. eta vs tors. theta energy: 1.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -83.269812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.269812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.269812 (E_RNA)
where:
Base-Base interactions energy: -43.101
where: short stacking energy: -35.359
Base-Backbone interact. energy: -0.070
local terms energy: -40.099157
where:
bonds (distance) C4'-P energy: -13.106
bonds (distance) P-C4' energy: -14.009
flat angles C4'-P-C4' energy: -6.214
flat angles P-C4'-P energy: -5.397
tors. eta vs tors. theta energy: -1.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -212.213215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.213215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.213215 (E_RNA)
where:
Base-Base interactions energy: -134.284
where: short stacking energy: -67.180
Base-Backbone interact. energy: -0.018
local terms energy: -77.911657
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -15.694
flat angles P-C4'-P energy: -11.720
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: 2, replica: 7
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -204.755271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.755271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.755271 (E_RNA)
where:
Base-Base interactions energy: -131.137
where: short stacking energy: -60.437
Base-Backbone interact. energy: -0.054
local terms energy: -73.564136
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -14.673
flat angles P-C4'-P energy: -9.727
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: 3, replica: 4
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -183.312155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.312155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.312155 (E_RNA)
where:
Base-Base interactions energy: -115.940
where: short stacking energy: -55.765
Base-Backbone interact. energy: -0.007
local terms energy: -67.365284
where:
bonds (distance) C4'-P energy: -13.123
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -14.360
flat angles P-C4'-P energy: -9.217
tors. eta vs tors. theta energy: -15.884
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: 9
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -188.661577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.661577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.661577 (E_RNA)
where:
Base-Base interactions energy: -126.706
where: short stacking energy: -54.431
Base-Backbone interact. energy: -0.393
local terms energy: -61.562557
where:
bonds (distance) C4'-P energy: -10.954
bonds (distance) P-C4' energy: -13.235
flat angles C4'-P-C4' energy: -13.425
flat angles P-C4'-P energy: -10.998
tors. eta vs tors. theta energy: -12.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -155.921694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.921694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.921694 (E_RNA)
where:
Base-Base interactions energy: -94.745
where: short stacking energy: -50.204
Base-Backbone interact. energy: -0.177
local terms energy: -60.999709
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -12.062
flat angles C4'-P-C4' energy: -15.256
flat angles P-C4'-P energy: -10.212
tors. eta vs tors. theta energy: -10.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -101.726361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.726361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.726361 (E_RNA)
where:
Base-Base interactions energy: -42.223
where: short stacking energy: -39.478
Base-Backbone interact. energy: -0.114
local terms energy: -59.389276
where:
bonds (distance) C4'-P energy: -11.760
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -14.241
flat angles P-C4'-P energy: -9.499
tors. eta vs tors. theta energy: -7.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -99.024712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.024712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.024712 (E_RNA)
where:
Base-Base interactions energy: -43.266
where: short stacking energy: -27.546
Base-Backbone interact. energy: -0.381
local terms energy: -55.377716
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -13.057
flat angles P-C4'-P energy: -10.214
tors. eta vs tors. theta energy: -2.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -83.810459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.810459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.810459 (E_RNA)
where:
Base-Base interactions energy: -35.453
where: short stacking energy: -27.531
Base-Backbone interact. energy: -0.139
local terms energy: -48.218692
where:
bonds (distance) C4'-P energy: -10.150
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -16.362
flat angles P-C4'-P energy: -8.092
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: 9, replica: 5
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -85.440597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.440597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.440597 (E_RNA)
where:
Base-Base interactions energy: -35.888
where: short stacking energy: -34.847
Base-Backbone interact. energy: -0.155
local terms energy: -49.398181
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -15.174
flat angles C4'-P-C4' energy: -12.626
flat angles P-C4'-P energy: -4.101
tors. eta vs tors. theta energy: -5.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -80.297148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.297148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.297148 (E_RNA)
where:
Base-Base interactions energy: -29.398
where: short stacking energy: -25.898
Base-Backbone interact. energy: -0.053
local terms energy: -50.846332
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -9.281
flat angles P-C4'-P energy: -10.976
tors. eta vs tors. theta energy: -0.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -203.510469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.510469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.510469 (E_RNA)
where:
Base-Base interactions energy: -135.483
where: short stacking energy: -69.597
Base-Backbone interact. energy: -0.015
local terms energy: -68.011661
where:
bonds (distance) C4'-P energy: -15.339
bonds (distance) P-C4' energy: -14.394
flat angles C4'-P-C4' energy: -16.262
flat angles P-C4'-P energy: -5.098
tors. eta vs tors. theta energy: -16.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -218.313089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.313089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.313089 (E_RNA)
where:
Base-Base interactions energy: -144.806
where: short stacking energy: -62.669
Base-Backbone interact. energy: 0.828
local terms energy: -74.334359
where:
bonds (distance) C4'-P energy: -15.801
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -16.503
flat angles P-C4'-P energy: -8.484
tors. eta vs tors. theta energy: -18.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -185.266003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.266003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.266003 (E_RNA)
where:
Base-Base interactions energy: -123.763
where: short stacking energy: -54.396
Base-Backbone interact. energy: -0.105
local terms energy: -61.397682
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -10.316
flat angles P-C4'-P energy: -10.179
tors. eta vs tors. theta energy: -7.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -199.980893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.980893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.980893 (E_RNA)
where:
Base-Base interactions energy: -131.824
where: short stacking energy: -55.154
Base-Backbone interact. energy: -0.005
local terms energy: -68.151161
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -15.208
flat angles P-C4'-P energy: -12.003
tors. eta vs tors. theta energy: -12.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -184.416461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.416461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.416461 (E_RNA)
where:
Base-Base interactions energy: -123.057
where: short stacking energy: -51.197
Base-Backbone interact. energy: -1.167
local terms energy: -60.192750
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -12.122
flat angles C4'-P-C4' energy: -10.698
flat angles P-C4'-P energy: -11.838
tors. eta vs tors. theta energy: -11.974
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: 1
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -106.160129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.160129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.160129 (E_RNA)
where:
Base-Base interactions energy: -45.782
where: short stacking energy: -33.394
Base-Backbone interact. energy: -0.072
local terms energy: -60.305903
where:
bonds (distance) C4'-P energy: -17.970
bonds (distance) P-C4' energy: -16.623
flat angles C4'-P-C4' energy: -13.851
flat angles P-C4'-P energy: -8.603
tors. eta vs tors. theta energy: -3.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -88.115947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.115947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.115947 (E_RNA)
where:
Base-Base interactions energy: -39.589
where: short stacking energy: -31.961
Base-Backbone interact. energy: -1.897
local terms energy: -46.630689
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -12.808
flat angles C4'-P-C4' energy: -12.080
flat angles P-C4'-P energy: -3.123
tors. eta vs tors. theta energy: -4.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -96.194472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.194472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.194472 (E_RNA)
where:
Base-Base interactions energy: -48.532
where: short stacking energy: -23.644
Base-Backbone interact. energy: -1.445
local terms energy: -46.218128
where:
bonds (distance) C4'-P energy: -9.090
bonds (distance) P-C4' energy: -12.443
flat angles C4'-P-C4' energy: -11.211
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -3.820
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: 8
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -89.830195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.830195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.830195 (E_RNA)
where:
Base-Base interactions energy: -35.824
where: short stacking energy: -34.446
Base-Backbone interact. energy: -0.183
local terms energy: -53.822862
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -12.512
flat angles C4'-P-C4' energy: -12.107
flat angles P-C4'-P energy: -4.968
tors. eta vs tors. theta energy: -6.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -78.014449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.014449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.014449 (E_RNA)
where:
Base-Base interactions energy: -29.370
where: short stacking energy: -25.430
Base-Backbone interact. energy: -0.269
local terms energy: -48.376335
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -11.897
flat angles P-C4'-P energy: -3.678
tors. eta vs tors. theta energy: 1.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -210.331548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.331548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.331548 (E_RNA)
where:
Base-Base interactions energy: -135.748
where: short stacking energy: -70.435
Base-Backbone interact. energy: -0.002
local terms energy: -74.581560
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -12.942
flat angles C4'-P-C4' energy: -15.879
flat angles P-C4'-P energy: -12.807
tors. eta vs tors. theta energy: -16.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -194.559390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.559390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.559390 (E_RNA)
where:
Base-Base interactions energy: -132.278
where: short stacking energy: -49.380
Base-Backbone interact. energy: -0.349
local terms energy: -61.932986
where:
bonds (distance) C4'-P energy: -15.378
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -12.200
flat angles P-C4'-P energy: -8.141
tors. eta vs tors. theta energy: -9.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -199.633177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.633177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.633177 (E_RNA)
where:
Base-Base interactions energy: -130.177
where: short stacking energy: -63.661
Base-Backbone interact. energy: -0.003
local terms energy: -69.453518
where:
bonds (distance) C4'-P energy: -10.786
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -18.861
flat angles P-C4'-P energy: -7.366
tors. eta vs tors. theta energy: -15.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -198.252508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.252508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.252508 (E_RNA)
where:
Base-Base interactions energy: -134.802
where: short stacking energy: -47.139
Base-Backbone interact. energy: -0.170
local terms energy: -63.280958
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -11.604
flat angles C4'-P-C4' energy: -15.022
flat angles P-C4'-P energy: -10.527
tors. eta vs tors. theta energy: -12.645
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: 485
Temperature: 1.100000
Total energy: -188.564869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.564869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.564869 (E_RNA)
where:
Base-Base interactions energy: -124.925
where: short stacking energy: -62.561
Base-Backbone interact. energy: -0.113
local terms energy: -63.527541
where:
bonds (distance) C4'-P energy: -9.010
bonds (distance) P-C4' energy: -14.781
flat angles C4'-P-C4' energy: -11.491
flat angles P-C4'-P energy: -13.090
tors. eta vs tors. theta energy: -15.156
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: 6
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -99.929902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.929902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.929902 (E_RNA)
where:
Base-Base interactions energy: -44.594
where: short stacking energy: -41.875
Base-Backbone interact. energy: -0.081
local terms energy: -55.254762
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -12.950
flat angles C4'-P-C4' energy: -12.823
flat angles P-C4'-P energy: -9.305
tors. eta vs tors. theta energy: -4.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -89.356116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.356116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.356116 (E_RNA)
where:
Base-Base interactions energy: -36.892
where: short stacking energy: -25.739
Base-Backbone interact. energy: -0.626
local terms energy: -51.838687
where:
bonds (distance) C4'-P energy: -12.400
bonds (distance) P-C4' energy: -15.038
flat angles C4'-P-C4' energy: -12.575
flat angles P-C4'-P energy: -8.142
tors. eta vs tors. theta energy: -3.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -88.190845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.190845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.190845 (E_RNA)
where:
Base-Base interactions energy: -43.931
where: short stacking energy: -29.650
Base-Backbone interact. energy: -0.126
local terms energy: -44.134079
where:
bonds (distance) C4'-P energy: -7.875
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -8.063
flat angles P-C4'-P energy: -11.355
tors. eta vs tors. theta energy: -2.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -95.843793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.843793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.843793 (E_RNA)
where:
Base-Base interactions energy: -37.672
where: short stacking energy: -31.524
Base-Backbone interact. energy: -0.142
local terms energy: -58.029323
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -15.137
flat angles P-C4'-P energy: -7.548
tors. eta vs tors. theta energy: -6.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -81.993121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.993121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.993121 (E_RNA)
where:
Base-Base interactions energy: -29.844
where: short stacking energy: -29.844
Base-Backbone interact. energy: -0.014
local terms energy: -52.135223
where:
bonds (distance) C4'-P energy: -11.354
bonds (distance) P-C4' energy: -16.246
flat angles C4'-P-C4' energy: -11.261
flat angles P-C4'-P energy: -5.740
tors. eta vs tors. theta energy: -7.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -201.310391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.310391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.310391 (E_RNA)
where:
Base-Base interactions energy: -140.742
where: short stacking energy: -49.401
Base-Backbone interact. energy: -0.385
local terms energy: -60.183083
where:
bonds (distance) C4'-P energy: -15.076
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -10.673
flat angles P-C4'-P energy: -13.037
tors. eta vs tors. theta energy: -7.507
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: 2, replica: 7
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -191.052933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.052933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.052933 (E_RNA)
where:
Base-Base interactions energy: -117.647
where: short stacking energy: -67.212
Base-Backbone interact. energy: -0.101
local terms energy: -73.304460
where:
bonds (distance) C4'-P energy: -12.021
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -16.769
flat angles P-C4'-P energy: -12.206
tors. eta vs tors. theta energy: -17.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -179.327464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.327464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.327464 (E_RNA)
where:
Base-Base interactions energy: -110.096
where: short stacking energy: -51.754
Base-Backbone interact. energy: -0.956
local terms energy: -68.275169
where:
bonds (distance) C4'-P energy: -12.401
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -12.250
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: 4, replica: 2
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -180.312437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.312437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.312437 (E_RNA)
where:
Base-Base interactions energy: -113.570
where: short stacking energy: -58.904
Base-Backbone interact. energy: -0.647
local terms energy: -66.095426
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -14.319
flat angles C4'-P-C4' energy: -14.976
flat angles P-C4'-P energy: -10.876
tors. eta vs tors. theta energy: -12.957
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: 4
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -158.451514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.451514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.451514 (E_RNA)
where:
Base-Base interactions energy: -98.304
where: short stacking energy: -52.145
Base-Backbone interact. energy: -0.158
local terms energy: -59.989427
where:
bonds (distance) C4'-P energy: -12.435
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -11.001
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: -8.453
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: 6
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -96.685411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.685411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.685411 (E_RNA)
where:
Base-Base interactions energy: -40.900
where: short stacking energy: -40.900
Base-Backbone interact. energy: -0.095
local terms energy: -55.690374
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -7.275
flat angles P-C4'-P energy: -6.986
tors. eta vs tors. theta energy: -9.408
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: 8
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -92.124720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.124720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.124720 (E_RNA)
where:
Base-Base interactions energy: -35.763
where: short stacking energy: -25.432
Base-Backbone interact. energy: -0.220
local terms energy: -56.140903
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -14.086
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -11.479
tors. eta vs tors. theta energy: -2.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -94.834051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.834051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.834051 (E_RNA)
where:
Base-Base interactions energy: -41.457
where: short stacking energy: -32.667
Base-Backbone interact. energy: 2.645
local terms energy: -56.021786
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -14.601
flat angles P-C4'-P energy: -6.925
tors. eta vs tors. theta energy: -8.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -90.284604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.284604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.284604 (E_RNA)
where:
Base-Base interactions energy: -38.407
where: short stacking energy: -30.584
Base-Backbone interact. energy: -1.704
local terms energy: -50.173731
where:
bonds (distance) C4'-P energy: -9.213
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -12.162
flat angles P-C4'-P energy: -11.345
tors. eta vs tors. theta energy: -1.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -84.358667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.358667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.358667 (E_RNA)
where:
Base-Base interactions energy: -33.920
where: short stacking energy: -25.701
Base-Backbone interact. energy: -0.165
local terms energy: -50.273172
where:
bonds (distance) C4'-P energy: -9.804
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -8.732
tors. eta vs tors. theta energy: -1.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -202.678557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.678557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.678557 (E_RNA)
where:
Base-Base interactions energy: -129.705
where: short stacking energy: -62.438
Base-Backbone interact. energy: -0.115
local terms energy: -72.858518
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -14.278
flat angles C4'-P-C4' energy: -15.859
flat angles P-C4'-P energy: -9.670
tors. eta vs tors. theta energy: -19.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -174.829472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.829472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.829472 (E_RNA)
where:
Base-Base interactions energy: -102.408
where: short stacking energy: -54.424
Base-Backbone interact. energy: -0.749
local terms energy: -71.672170
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -15.807
flat angles P-C4'-P energy: -13.405
tors. eta vs tors. theta energy: -13.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -173.462420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.462420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.462420 (E_RNA)
where:
Base-Base interactions energy: -105.741
where: short stacking energy: -54.769
Base-Backbone interact. energy: 0.828
local terms energy: -68.550095
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -14.095
flat angles C4'-P-C4' energy: -13.030
flat angles P-C4'-P energy: -12.007
tors. eta vs tors. theta energy: -16.226
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: 4
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -172.649476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.649476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.649476 (E_RNA)
where:
Base-Base interactions energy: -107.843
where: short stacking energy: -62.559
Base-Backbone interact. energy: -0.241
local terms energy: -64.566195
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -10.864
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -4.078
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: 2
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -168.674926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.674926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.674926 (E_RNA)
where:
Base-Base interactions energy: -103.239
where: short stacking energy: -48.572
Base-Backbone interact. energy: -0.112
local terms energy: -65.324185
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -14.321
flat angles C4'-P-C4' energy: -17.032
flat angles P-C4'-P energy: -9.027
tors. eta vs tors. theta energy: -12.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -98.522025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.522025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.522025 (E_RNA)
where:
Base-Base interactions energy: -41.144
where: short stacking energy: -41.144
Base-Backbone interact. energy: 0.085
local terms energy: -57.462858
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -12.452
flat angles P-C4'-P energy: -7.323
tors. eta vs tors. theta energy: -5.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -98.953968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.953968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.953968 (E_RNA)
where:
Base-Base interactions energy: -43.674
where: short stacking energy: -38.211
Base-Backbone interact. energy: -0.281
local terms energy: -54.998370
where:
bonds (distance) C4'-P energy: -7.399
bonds (distance) P-C4' energy: -10.778
flat angles C4'-P-C4' energy: -17.672
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: -7.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -92.824226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.824226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.824226 (E_RNA)
where:
Base-Base interactions energy: -40.466
where: short stacking energy: -32.113
Base-Backbone interact. energy: -0.260
local terms energy: -52.098101
where:
bonds (distance) C4'-P energy: -16.197
bonds (distance) P-C4' energy: -9.103
flat angles C4'-P-C4' energy: -15.898
flat angles P-C4'-P energy: -6.281
tors. eta vs tors. theta energy: -4.619
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: 1
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -101.912135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.912135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.912135 (E_RNA)
where:
Base-Base interactions energy: -46.134
where: short stacking energy: -30.190
Base-Backbone interact. energy: 0.397
local terms energy: -56.175492
where:
bonds (distance) C4'-P energy: -9.541
bonds (distance) P-C4' energy: -13.181
flat angles C4'-P-C4' energy: -11.868
flat angles P-C4'-P energy: -12.043
tors. eta vs tors. theta energy: -9.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -70.830009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.830009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.830009 (E_RNA)
where:
Base-Base interactions energy: -23.836
where: short stacking energy: -22.942
Base-Backbone interact. energy: -0.351
local terms energy: -46.643276
where:
bonds (distance) C4'-P energy: -9.999
bonds (distance) P-C4' energy: -11.586
flat angles C4'-P-C4' energy: -12.202
flat angles P-C4'-P energy: -12.739
tors. eta vs tors. theta energy: -0.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -209.182747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.182747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.182747 (E_RNA)
where:
Base-Base interactions energy: -137.276
where: short stacking energy: -62.380
Base-Backbone interact. energy: -0.134
local terms energy: -71.772133
where:
bonds (distance) C4'-P energy: -9.959
bonds (distance) P-C4' energy: -17.403
flat angles C4'-P-C4' energy: -15.733
flat angles P-C4'-P energy: -8.388
tors. eta vs tors. theta energy: -20.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -169.013906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.013906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.013906 (E_RNA)
where:
Base-Base interactions energy: -102.042
where: short stacking energy: -51.134
Base-Backbone interact. energy: -0.709
local terms energy: -66.262542
where:
bonds (distance) C4'-P energy: -16.060
bonds (distance) P-C4' energy: -12.285
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -10.976
tors. eta vs tors. theta energy: -12.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -179.413386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.413386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.413386 (E_RNA)
where:
Base-Base interactions energy: -108.686
where: short stacking energy: -51.118
Base-Backbone interact. energy: -0.106
local terms energy: -70.621546
where:
bonds (distance) C4'-P energy: -15.378
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -17.097
flat angles P-C4'-P energy: -8.792
tors. eta vs tors. theta energy: -13.189
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: 488
Temperature: 1.050000
Total energy: -157.138318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.138318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.138318 (E_RNA)
where:
Base-Base interactions energy: -100.475
where: short stacking energy: -47.994
Base-Backbone interact. energy: -0.436
local terms energy: -56.228087
where:
bonds (distance) C4'-P energy: -13.311
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -9.047
flat angles P-C4'-P energy: -5.810
tors. eta vs tors. theta energy: -11.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -176.418511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.418511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.418511 (E_RNA)
where:
Base-Base interactions energy: -118.137
where: short stacking energy: -49.474
Base-Backbone interact. energy: -0.141
local terms energy: -58.141101
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -11.327
flat angles P-C4'-P energy: -6.388
tors. eta vs tors. theta energy: -12.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -96.555632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.555632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.555632 (E_RNA)
where:
Base-Base interactions energy: -34.855
where: short stacking energy: -32.692
Base-Backbone interact. energy: -0.267
local terms energy: -61.434120
where:
bonds (distance) C4'-P energy: -15.146
bonds (distance) P-C4' energy: -16.717
flat angles C4'-P-C4' energy: -11.540
flat angles P-C4'-P energy: -8.574
tors. eta vs tors. theta energy: -9.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -111.643664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.643664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.643664 (E_RNA)
where:
Base-Base interactions energy: -65.182
where: short stacking energy: -32.110
Base-Backbone interact. energy: -0.860
local terms energy: -45.601070
where:
bonds (distance) C4'-P energy: -10.092
bonds (distance) P-C4' energy: -13.101
flat angles C4'-P-C4' energy: -12.697
flat angles P-C4'-P energy: -6.263
tors. eta vs tors. theta energy: -3.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -96.587757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.587757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.587757 (E_RNA)
where:
Base-Base interactions energy: -42.364
where: short stacking energy: -41.084
Base-Backbone interact. energy: 0.961
local terms energy: -55.184840
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -14.403
flat angles P-C4'-P energy: -5.113
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: 9, replica: 1
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -78.206660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.206660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.206660 (E_RNA)
where:
Base-Base interactions energy: -28.191
where: short stacking energy: -28.191
Base-Backbone interact. energy: -0.123
local terms energy: -49.892084
where:
bonds (distance) C4'-P energy: -8.518
bonds (distance) P-C4' energy: -13.161
flat angles C4'-P-C4' energy: -14.738
flat angles P-C4'-P energy: -9.468
tors. eta vs tors. theta energy: -4.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -74.627166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.627166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.627166 (E_RNA)
where:
Base-Base interactions energy: -29.583
where: short stacking energy: -28.917
Base-Backbone interact. energy: -0.004
local terms energy: -45.039689
where:
bonds (distance) C4'-P energy: -10.534
bonds (distance) P-C4' energy: -11.918
flat angles C4'-P-C4' energy: -10.931
flat angles P-C4'-P energy: -3.846
tors. eta vs tors. theta energy: -7.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -209.240217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.240217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.240217 (E_RNA)
where:
Base-Base interactions energy: -138.052
where: short stacking energy: -62.901
Base-Backbone interact. energy: -0.105
local terms energy: -71.083200
where:
bonds (distance) C4'-P energy: -15.887
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -13.258
flat angles P-C4'-P energy: -9.927
tors. eta vs tors. theta energy: -16.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -200.704615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.704615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.704615 (E_RNA)
where:
Base-Base interactions energy: -133.164
where: short stacking energy: -63.094
Base-Backbone interact. energy: 2.702
local terms energy: -70.242560
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -13.643
flat angles C4'-P-C4' energy: -16.387
flat angles P-C4'-P energy: -8.309
tors. eta vs tors. theta energy: -15.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -197.411514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.411514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.411514 (E_RNA)
where:
Base-Base interactions energy: -128.605
where: short stacking energy: -52.512
Base-Backbone interact. energy: -0.061
local terms energy: -68.745393
where:
bonds (distance) C4'-P energy: -14.565
bonds (distance) P-C4' energy: -13.864
flat angles C4'-P-C4' energy: -15.011
flat angles P-C4'-P energy: -10.926
tors. eta vs tors. theta energy: -14.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -186.125355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.125355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.125355 (E_RNA)
where:
Base-Base interactions energy: -120.996
where: short stacking energy: -49.780
Base-Backbone interact. energy: -0.283
local terms energy: -64.846892
where:
bonds (distance) C4'-P energy: -11.167
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -11.532
flat angles P-C4'-P energy: -12.072
tors. eta vs tors. theta energy: -13.887
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: 4
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -146.986479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.986479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.986479 (E_RNA)
where:
Base-Base interactions energy: -94.062
where: short stacking energy: -43.531
Base-Backbone interact. energy: -0.090
local terms energy: -52.834855
where:
bonds (distance) C4'-P energy: -8.429
bonds (distance) P-C4' energy: -13.616
flat angles C4'-P-C4' energy: -14.491
flat angles P-C4'-P energy: -9.924
tors. eta vs tors. theta energy: -6.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -93.235751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.235751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.235751 (E_RNA)
where:
Base-Base interactions energy: -36.712
where: short stacking energy: -36.712
Base-Backbone interact. energy: -0.138
local terms energy: -56.385248
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -13.834
flat angles C4'-P-C4' energy: -16.090
flat angles P-C4'-P energy: -8.141
tors. eta vs tors. theta energy: -6.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -90.295887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.295887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.295887 (E_RNA)
where:
Base-Base interactions energy: -46.116
where: short stacking energy: -35.747
Base-Backbone interact. energy: -0.210
local terms energy: -43.969765
where:
bonds (distance) C4'-P energy: -8.054
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -12.928
flat angles P-C4'-P energy: -9.699
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: 8, replica: 1
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -91.995248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.995248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.995248 (E_RNA)
where:
Base-Base interactions energy: -31.762
where: short stacking energy: -26.755
Base-Backbone interact. energy: 0.559
local terms energy: -60.792384
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -14.130
flat angles C4'-P-C4' energy: -10.178
flat angles P-C4'-P energy: -9.675
tors. eta vs tors. theta energy: -11.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -74.994408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.994408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.994408 (E_RNA)
where:
Base-Base interactions energy: -25.636
where: short stacking energy: -12.811
Base-Backbone interact. energy: 0.118
local terms energy: -49.476684
where:
bonds (distance) C4'-P energy: -13.673
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -10.898
flat angles P-C4'-P energy: -5.765
tors. eta vs tors. theta energy: -1.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -72.740370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.740370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.740370 (E_RNA)
where:
Base-Base interactions energy: -34.735
where: short stacking energy: -15.842
Base-Backbone interact. energy: 0.766
local terms energy: -38.771702
where:
bonds (distance) C4'-P energy: -13.433
bonds (distance) P-C4' energy: -13.877
flat angles C4'-P-C4' energy: -8.366
flat angles P-C4'-P energy: -8.448
tors. eta vs tors. theta energy: 5.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -206.754015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.754015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.754015 (E_RNA)
where:
Base-Base interactions energy: -140.643
where: short stacking energy: -57.369
Base-Backbone interact. energy: -0.634
local terms energy: -65.477366
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -11.647
flat angles P-C4'-P energy: -9.620
tors. eta vs tors. theta energy: -14.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -192.305664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.305664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.305664 (E_RNA)
where:
Base-Base interactions energy: -124.930
where: short stacking energy: -60.291
Base-Backbone interact. energy: -0.157
local terms energy: -67.218232
where:
bonds (distance) C4'-P energy: -14.546
bonds (distance) P-C4' energy: -10.269
flat angles C4'-P-C4' energy: -17.958
flat angles P-C4'-P energy: -6.208
tors. eta vs tors. theta energy: -18.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -191.180696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.180696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.180696 (E_RNA)
where:
Base-Base interactions energy: -137.781
where: short stacking energy: -50.045
Base-Backbone interact. energy: -0.265
local terms energy: -53.134786
where:
bonds (distance) C4'-P energy: -7.272
bonds (distance) P-C4' energy: -13.287
flat angles C4'-P-C4' energy: -9.757
flat angles P-C4'-P energy: -13.062
tors. eta vs tors. theta energy: -9.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -178.456644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.456644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.456644 (E_RNA)
where:
Base-Base interactions energy: -115.635
where: short stacking energy: -55.202
Base-Backbone interact. energy: -0.124
local terms energy: -62.697749
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -12.419
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -9.279
tors. eta vs tors. theta energy: -15.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -107.090190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.090190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.090190 (E_RNA)
where:
Base-Base interactions energy: -47.067
where: short stacking energy: -46.477
Base-Backbone interact. energy: -0.004
local terms energy: -60.019569
where:
bonds (distance) C4'-P energy: -10.616
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -14.532
flat angles P-C4'-P energy: -7.454
tors. eta vs tors. theta energy: -11.707
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: 4
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -151.987171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.987171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.987171 (E_RNA)
where:
Base-Base interactions energy: -93.525
where: short stacking energy: -46.385
Base-Backbone interact. energy: -0.035
local terms energy: -58.427387
where:
bonds (distance) C4'-P energy: -10.213
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -11.102
flat angles P-C4'-P energy: -7.874
tors. eta vs tors. theta energy: -13.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -96.198806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.198806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.198806 (E_RNA)
where:
Base-Base interactions energy: -42.731
where: short stacking energy: -42.731
Base-Backbone interact. energy: -0.042
local terms energy: -53.425371
where:
bonds (distance) C4'-P energy: -9.519
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -14.392
flat angles P-C4'-P energy: -3.432
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: 8, replica: 6
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -84.493140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.493140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.493140 (E_RNA)
where:
Base-Base interactions energy: -29.170
where: short stacking energy: -28.445
Base-Backbone interact. energy: -0.144
local terms energy: -55.179231
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -16.362
flat angles C4'-P-C4' energy: -12.047
flat angles P-C4'-P energy: -10.233
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)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -84.241428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.241428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.241428 (E_RNA)
where:
Base-Base interactions energy: -34.170
where: short stacking energy: -27.650
Base-Backbone interact. energy: -0.600
local terms energy: -49.471068
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -11.445
flat angles C4'-P-C4' energy: -10.693
flat angles P-C4'-P energy: -9.385
tors. eta vs tors. theta energy: -1.008
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: 3
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -78.329984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.329984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.329984 (E_RNA)
where:
Base-Base interactions energy: -27.273
where: short stacking energy: -26.646
Base-Backbone interact. energy: -0.016
local terms energy: -51.040583
where:
bonds (distance) C4'-P energy: -6.883
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -14.288
flat angles P-C4'-P energy: -11.571
tors. eta vs tors. theta energy: -2.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -201.625597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.625597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.625597 (E_RNA)
where:
Base-Base interactions energy: -121.724
where: short stacking energy: -64.098
Base-Backbone interact. energy: -0.000
local terms energy: -79.901533
where:
bonds (distance) C4'-P energy: -16.076
bonds (distance) P-C4' energy: -14.143
flat angles C4'-P-C4' energy: -17.359
flat angles P-C4'-P energy: -13.075
tors. eta vs tors. theta energy: -19.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -209.373994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.373994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.373994 (E_RNA)
where:
Base-Base interactions energy: -144.445
where: short stacking energy: -57.648
Base-Backbone interact. energy: -0.216
local terms energy: -64.712922
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -10.439
flat angles P-C4'-P energy: -10.874
tors. eta vs tors. theta energy: -11.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -194.881186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.881186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.881186 (E_RNA)
where:
Base-Base interactions energy: -125.788
where: short stacking energy: -61.718
Base-Backbone interact. energy: -0.007
local terms energy: -69.086511
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -13.606
flat angles P-C4'-P energy: -6.960
tors. eta vs tors. theta energy: -17.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -176.940730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.940730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.940730 (E_RNA)
where:
Base-Base interactions energy: -119.984
where: short stacking energy: -43.038
Base-Backbone interact. energy: -0.596
local terms energy: -56.360264
where:
bonds (distance) C4'-P energy: -11.876
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -13.134
flat angles P-C4'-P energy: -8.149
tors. eta vs tors. theta energy: -8.648
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: 5, replica: 5
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -105.729266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.729266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.729266 (E_RNA)
where:
Base-Base interactions energy: -54.536
where: short stacking energy: -37.983
Base-Backbone interact. energy: 0.226
local terms energy: -51.419016
where:
bonds (distance) C4'-P energy: -15.316
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -11.754
flat angles P-C4'-P energy: -4.793
tors. eta vs tors. theta energy: -6.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -161.547606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.547606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.547606 (E_RNA)
where:
Base-Base interactions energy: -99.851
where: short stacking energy: -43.383
Base-Backbone interact. energy: -0.114
local terms energy: -61.582662
where:
bonds (distance) C4'-P energy: -18.325
bonds (distance) P-C4' energy: -9.305
flat angles C4'-P-C4' energy: -15.397
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -8.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -101.023949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.023949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.023949 (E_RNA)
where:
Base-Base interactions energy: -41.723
where: short stacking energy: -33.627
Base-Backbone interact. energy: -0.138
local terms energy: -59.162756
where:
bonds (distance) C4'-P energy: -15.019
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -14.323
flat angles P-C4'-P energy: -6.879
tors. eta vs tors. theta energy: -4.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -92.274441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.274441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.274441 (E_RNA)
where:
Base-Base interactions energy: -41.466
where: short stacking energy: -24.722
Base-Backbone interact. energy: -0.181
local terms energy: -50.627487
where:
bonds (distance) C4'-P energy: -12.021
bonds (distance) P-C4' energy: -18.629
flat angles C4'-P-C4' energy: -14.084
flat angles P-C4'-P energy: -4.988
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: 9, replica: 6
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -100.208084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.208084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.208084 (E_RNA)
where:
Base-Base interactions energy: -31.464
where: short stacking energy: -31.464
Base-Backbone interact. energy: -0.007
local terms energy: -68.736995
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -14.300
flat angles P-C4'-P energy: -11.313
tors. eta vs tors. theta energy: -13.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -82.937954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.937954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.937954 (E_RNA)
where:
Base-Base interactions energy: -31.706
where: short stacking energy: -28.895
Base-Backbone interact. energy: -0.130
local terms energy: -51.101804
where:
bonds (distance) C4'-P energy: -11.009
bonds (distance) P-C4' energy: -16.295
flat angles C4'-P-C4' energy: -14.092
flat angles P-C4'-P energy: -11.900
tors. eta vs tors. theta energy: 2.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -200.995537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.995537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.995537 (E_RNA)
where:
Base-Base interactions energy: -141.446
where: short stacking energy: -56.501
Base-Backbone interact. energy: -0.399
local terms energy: -59.150687
where:
bonds (distance) C4'-P energy: -10.152
bonds (distance) P-C4' energy: -15.807
flat angles C4'-P-C4' energy: -14.309
flat angles P-C4'-P energy: -11.230
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: 2, replica: 9
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -204.792513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.792513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.792513 (E_RNA)
where:
Base-Base interactions energy: -138.150
where: short stacking energy: -66.692
Base-Backbone interact. energy: -0.039
local terms energy: -66.603741
where:
bonds (distance) C4'-P energy: -12.306
bonds (distance) P-C4' energy: -12.834
flat angles C4'-P-C4' energy: -15.608
flat angles P-C4'-P energy: -8.858
tors. eta vs tors. theta energy: -16.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -178.239786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.239786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.239786 (E_RNA)
where:
Base-Base interactions energy: -114.388
where: short stacking energy: -62.129
Base-Backbone interact. energy: -0.616
local terms energy: -63.235703
where:
bonds (distance) C4'-P energy: -12.286
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -13.375
flat angles P-C4'-P energy: -9.558
tors. eta vs tors. theta energy: -11.723
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: 7
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -177.392312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.392312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.392312 (E_RNA)
where:
Base-Base interactions energy: -120.966
where: short stacking energy: -51.718
Base-Backbone interact. energy: -0.422
local terms energy: -56.003738
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -14.277
flat angles C4'-P-C4' energy: -17.207
flat angles P-C4'-P energy: 0.183
tors. eta vs tors. theta energy: -10.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -177.657403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.657403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.657403 (E_RNA)
where:
Base-Base interactions energy: -115.390
where: short stacking energy: -53.158
Base-Backbone interact. energy: 0.175
local terms energy: -62.443173
where:
bonds (distance) C4'-P energy: -8.491
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -14.276
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: -14.994
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: 492
Temperature: 1.150000
Total energy: -99.115984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.115984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.115984 (E_RNA)
where:
Base-Base interactions energy: -42.217
where: short stacking energy: -41.714
Base-Backbone interact. energy: 0.519
local terms energy: -57.418570
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -14.567
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -6.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -119.483583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.483583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.483583 (E_RNA)
where:
Base-Base interactions energy: -61.237
where: short stacking energy: -38.397
Base-Backbone interact. energy: 0.043
local terms energy: -58.289504
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -15.855
flat angles P-C4'-P energy: -11.754
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: 1
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -85.491019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.491019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.491019 (E_RNA)
where:
Base-Base interactions energy: -37.649
where: short stacking energy: -22.484
Base-Backbone interact. energy: -0.890
local terms energy: -46.951727
where:
bonds (distance) C4'-P energy: -14.702
bonds (distance) P-C4' energy: -8.114
flat angles C4'-P-C4' energy: -12.640
flat angles P-C4'-P energy: -8.337
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: 9, replica: 3
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -88.831191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.831191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.831191 (E_RNA)
where:
Base-Base interactions energy: -43.103
where: short stacking energy: -43.103
Base-Backbone interact. energy: -0.049
local terms energy: -45.679597
where:
bonds (distance) C4'-P energy: -8.689
bonds (distance) P-C4' energy: -7.424
flat angles C4'-P-C4' energy: -15.815
flat angles P-C4'-P energy: -5.878
tors. eta vs tors. theta energy: -7.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -78.374592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.374592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.374592 (E_RNA)
where:
Base-Base interactions energy: -38.227
where: short stacking energy: -28.983
Base-Backbone interact. energy: 0.223
local terms energy: -40.370660
where:
bonds (distance) C4'-P energy: -12.363
bonds (distance) P-C4' energy: -10.705
flat angles C4'-P-C4' energy: -9.345
flat angles P-C4'-P energy: -6.668
tors. eta vs tors. theta energy: -1.290
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: 10
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -213.862802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.862802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.862802 (E_RNA)
where:
Base-Base interactions energy: -143.857
where: short stacking energy: -54.231
Base-Backbone interact. energy: -0.305
local terms energy: -69.700776
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -16.195
flat angles P-C4'-P energy: -11.127
tors. eta vs tors. theta energy: -12.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -199.751097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.751097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.751097 (E_RNA)
where:
Base-Base interactions energy: -117.715
where: short stacking energy: -69.348
Base-Backbone interact. energy: -0.049
local terms energy: -81.987476
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -17.522
flat angles P-C4'-P energy: -13.049
tors. eta vs tors. theta energy: -20.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -197.856084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.856084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.856084 (E_RNA)
where:
Base-Base interactions energy: -133.430
where: short stacking energy: -61.491
Base-Backbone interact. energy: 0.081
local terms energy: -64.507577
where:
bonds (distance) C4'-P energy: -15.728
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -14.402
flat angles P-C4'-P energy: -5.458
tors. eta vs tors. theta energy: -12.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -160.085881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.085881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.085881 (E_RNA)
where:
Base-Base interactions energy: -96.535
where: short stacking energy: -44.700
Base-Backbone interact. energy: -0.008
local terms energy: -63.543499
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -11.933
flat angles C4'-P-C4' energy: -13.874
flat angles P-C4'-P energy: -11.282
tors. eta vs tors. theta energy: -12.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -172.527016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.527016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.527016 (E_RNA)
where:
Base-Base interactions energy: -111.909
where: short stacking energy: -46.437
Base-Backbone interact. energy: 2.147
local terms energy: -62.764587
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -12.933
flat angles C4'-P-C4' energy: -12.500
flat angles P-C4'-P energy: -12.004
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: 6, replica: 8
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -110.193168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.193168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.193168 (E_RNA)
where:
Base-Base interactions energy: -55.799
where: short stacking energy: -33.677
Base-Backbone interact. energy: -0.812
local terms energy: -53.581601
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -15.683
flat angles P-C4'-P energy: -5.420
tors. eta vs tors. theta energy: -6.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -86.850304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.850304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.850304 (E_RNA)
where:
Base-Base interactions energy: -35.572
where: short stacking energy: -34.951
Base-Backbone interact. energy: -0.050
local terms energy: -51.228719
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -8.354
flat angles P-C4'-P energy: -6.477
tors. eta vs tors. theta energy: -8.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -90.877849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.877849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.877849 (E_RNA)
where:
Base-Base interactions energy: -50.911
where: short stacking energy: -43.049
Base-Backbone interact. energy: 0.501
local terms energy: -40.468304
where:
bonds (distance) C4'-P energy: -9.225
bonds (distance) P-C4' energy: -5.691
flat angles C4'-P-C4' energy: -8.225
flat angles P-C4'-P energy: -9.165
tors. eta vs tors. theta energy: -8.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -84.120047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.120047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.120047 (E_RNA)
where:
Base-Base interactions energy: -27.047
where: short stacking energy: -26.161
Base-Backbone interact. energy: -0.346
local terms energy: -56.727181
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -13.294
flat angles P-C4'-P energy: -9.050
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: 10, replica: 6
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -79.404986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.404986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.404986 (E_RNA)
where:
Base-Base interactions energy: -27.120
where: short stacking energy: -16.372
Base-Backbone interact. energy: -0.986
local terms energy: -51.299348
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -13.190
flat angles C4'-P-C4' energy: -14.802
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: 2.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -221.916076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.916076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.916076 (E_RNA)
where:
Base-Base interactions energy: -160.575
where: short stacking energy: -52.405
Base-Backbone interact. energy: -0.128
local terms energy: -61.213710
where:
bonds (distance) C4'-P energy: -11.775
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -11.227
flat angles P-C4'-P energy: -12.264
tors. eta vs tors. theta energy: -10.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -196.038665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.038665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.038665 (E_RNA)
where:
Base-Base interactions energy: -124.956
where: short stacking energy: -63.823
Base-Backbone interact. energy: -0.910
local terms energy: -70.173460
where:
bonds (distance) C4'-P energy: -11.495
bonds (distance) P-C4' energy: -14.110
flat angles C4'-P-C4' energy: -15.350
flat angles P-C4'-P energy: -10.485
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: 2
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -191.991703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.991703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.991703 (E_RNA)
where:
Base-Base interactions energy: -123.160
where: short stacking energy: -52.317
Base-Backbone interact. energy: -0.002
local terms energy: -68.829501
where:
bonds (distance) C4'-P energy: -16.098
bonds (distance) P-C4' energy: -16.577
flat angles C4'-P-C4' energy: -11.877
flat angles P-C4'-P energy: -10.546
tors. eta vs tors. theta energy: -13.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -156.484389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.484389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.484389 (E_RNA)
where:
Base-Base interactions energy: -94.620
where: short stacking energy: -45.807
Base-Backbone interact. energy: -0.018
local terms energy: -61.846382
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -11.375
flat angles C4'-P-C4' energy: -14.488
flat angles P-C4'-P energy: -8.577
tors. eta vs tors. theta energy: -13.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -173.655037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.655037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.655037 (E_RNA)
where:
Base-Base interactions energy: -126.093
where: short stacking energy: -59.291
Base-Backbone interact. energy: 1.661
local terms energy: -49.223149
where:
bonds (distance) C4'-P energy: -7.482
bonds (distance) P-C4' energy: -12.576
flat angles C4'-P-C4' energy: -10.174
flat angles P-C4'-P energy: -8.823
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: 6, replica: 8
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -110.819044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.819044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.819044 (E_RNA)
where:
Base-Base interactions energy: -49.452
where: short stacking energy: -43.694
Base-Backbone interact. energy: -0.078
local terms energy: -61.288797
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -11.179
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -13.011
tors. eta vs tors. theta energy: -9.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -100.930033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.930033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.930033 (E_RNA)
where:
Base-Base interactions energy: -54.236
where: short stacking energy: -38.787
Base-Backbone interact. energy: -0.037
local terms energy: -46.656468
where:
bonds (distance) C4'-P energy: -10.062
bonds (distance) P-C4' energy: -11.874
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -7.687
tors. eta vs tors. theta energy: -2.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -87.048526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.048526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.048526 (E_RNA)
where:
Base-Base interactions energy: -41.198
where: short stacking energy: -38.790
Base-Backbone interact. energy: 0.318
local terms energy: -46.169063
where:
bonds (distance) C4'-P energy: -12.137
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -10.165
flat angles P-C4'-P energy: -4.846
tors. eta vs tors. theta energy: -3.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -86.115992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.115992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.115992 (E_RNA)
where:
Base-Base interactions energy: -25.067
where: short stacking energy: -15.503
Base-Backbone interact. energy: -0.292
local terms energy: -60.757312
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: -7.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -75.356468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.356468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.356468 (E_RNA)
where:
Base-Base interactions energy: -27.868
where: short stacking energy: -27.868
Base-Backbone interact. energy: -0.168
local terms energy: -47.320253
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -7.751
flat angles P-C4'-P energy: -10.419
tors. eta vs tors. theta energy: -2.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -205.540433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.540433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.540433 (E_RNA)
where:
Base-Base interactions energy: -133.321
where: short stacking energy: -58.375
Base-Backbone interact. energy: -0.084
local terms energy: -72.135448
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -13.138
tors. eta vs tors. theta energy: -13.405
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: 2
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -201.279987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.279987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.279987 (E_RNA)
where:
Base-Base interactions energy: -131.262
where: short stacking energy: -62.165
Base-Backbone interact. energy: 0.530
local terms energy: -70.547662
where:
bonds (distance) C4'-P energy: -17.262
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -13.222
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -15.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -185.737905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.737905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.737905 (E_RNA)
where:
Base-Base interactions energy: -122.498
where: short stacking energy: -56.036
Base-Backbone interact. energy: 2.850
local terms energy: -66.089857
where:
bonds (distance) C4'-P energy: -11.403
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -13.291
flat angles P-C4'-P energy: -9.658
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: 4, replica: 4
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -194.547779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.547779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.547779 (E_RNA)
where:
Base-Base interactions energy: -132.183
where: short stacking energy: -44.456
Base-Backbone interact. energy: -1.160
local terms energy: -61.204903
where:
bonds (distance) C4'-P energy: -16.897
bonds (distance) P-C4' energy: -14.931
flat angles C4'-P-C4' energy: -11.365
flat angles P-C4'-P energy: -8.136
tors. eta vs tors. theta energy: -9.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -168.799820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.799820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.799820 (E_RNA)
where:
Base-Base interactions energy: -105.131
where: short stacking energy: -50.722
Base-Backbone interact. energy: -0.641
local terms energy: -63.027514
where:
bonds (distance) C4'-P energy: -10.722
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -6.524
tors. eta vs tors. theta energy: -14.984
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: 6, replica: 8
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -109.235912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.235912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.235912 (E_RNA)
where:
Base-Base interactions energy: -53.154
where: short stacking energy: -41.220
Base-Backbone interact. energy: -0.068
local terms energy: -56.014238
where:
bonds (distance) C4'-P energy: -10.865
bonds (distance) P-C4' energy: -14.268
flat angles C4'-P-C4' energy: -15.318
flat angles P-C4'-P energy: -11.849
tors. eta vs tors. theta energy: -3.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -108.453939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.453939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.453939 (E_RNA)
where:
Base-Base interactions energy: -56.471
where: short stacking energy: -34.049
Base-Backbone interact. energy: -0.083
local terms energy: -51.900396
where:
bonds (distance) C4'-P energy: -15.964
bonds (distance) P-C4' energy: -12.017
flat angles C4'-P-C4' energy: -8.637
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: -5.289
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: 8, replica: 6
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -93.820312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.820312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.820312 (E_RNA)
where:
Base-Base interactions energy: -38.492
where: short stacking energy: -38.492
Base-Backbone interact. energy: -0.004
local terms energy: -55.323932
where:
bonds (distance) C4'-P energy: -8.686
bonds (distance) P-C4' energy: -15.847
flat angles C4'-P-C4' energy: -10.187
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: -10.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -84.193681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.193681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.193681 (E_RNA)
where:
Base-Base interactions energy: -32.225
where: short stacking energy: -32.225
Base-Backbone interact. energy: -0.379
local terms energy: -51.589845
where:
bonds (distance) C4'-P energy: -11.374
bonds (distance) P-C4' energy: -18.232
flat angles C4'-P-C4' energy: -12.820
flat angles P-C4'-P energy: -7.640
tors. eta vs tors. theta energy: -1.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -80.541083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.541083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.541083 (E_RNA)
where:
Base-Base interactions energy: -31.567
where: short stacking energy: -27.296
Base-Backbone interact. energy: -0.096
local terms energy: -48.878246
where:
bonds (distance) C4'-P energy: -11.661
bonds (distance) P-C4' energy: -14.167
flat angles C4'-P-C4' energy: -11.307
flat angles P-C4'-P energy: -7.096
tors. eta vs tors. theta energy: -4.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -202.628161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.628161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.628161 (E_RNA)
where:
Base-Base interactions energy: -131.956
where: short stacking energy: -54.765
Base-Backbone interact. energy: -0.076
local terms energy: -70.596181
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -15.570
flat angles C4'-P-C4' energy: -16.068
flat angles P-C4'-P energy: -11.109
tors. eta vs tors. theta energy: -11.614
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: 2
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -189.832336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.832336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.832336 (E_RNA)
where:
Base-Base interactions energy: -125.392
where: short stacking energy: -49.325
Base-Backbone interact. energy: -0.534
local terms energy: -63.905548
where:
bonds (distance) C4'-P energy: -17.216
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -11.754
flat angles P-C4'-P energy: -8.087
tors. eta vs tors. theta energy: -9.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -177.998978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.998978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.998978 (E_RNA)
where:
Base-Base interactions energy: -115.921
where: short stacking energy: -41.212
Base-Backbone interact. energy: -0.281
local terms energy: -61.796794
where:
bonds (distance) C4'-P energy: -11.651
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -16.873
flat angles P-C4'-P energy: -6.850
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: 4, replica: 9
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -179.839182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.839182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.839182 (E_RNA)
where:
Base-Base interactions energy: -111.657
where: short stacking energy: -50.948
Base-Backbone interact. energy: -0.191
local terms energy: -67.990600
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -13.668
flat angles C4'-P-C4' energy: -11.525
flat angles P-C4'-P energy: -11.970
tors. eta vs tors. theta energy: -16.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -180.274371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.274371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.274371 (E_RNA)
where:
Base-Base interactions energy: -105.672
where: short stacking energy: -50.601
Base-Backbone interact. energy: -0.222
local terms energy: -74.379962
where:
bonds (distance) C4'-P energy: -17.452
bonds (distance) P-C4' energy: -16.552
flat angles C4'-P-C4' energy: -12.165
flat angles P-C4'-P energy: -11.135
tors. eta vs tors. theta energy: -17.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -97.265650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.265650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.265650 (E_RNA)
where:
Base-Base interactions energy: -44.475
where: short stacking energy: -36.686
Base-Backbone interact. energy: -0.270
local terms energy: -52.520510
where:
bonds (distance) C4'-P energy: -14.201
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -7.596
flat angles P-C4'-P energy: -6.364
tors. eta vs tors. theta energy: -9.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -90.560962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.560962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.560962 (E_RNA)
where:
Base-Base interactions energy: -48.552
where: short stacking energy: -27.536
Base-Backbone interact. energy: -0.137
local terms energy: -41.871531
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -13.409
flat angles C4'-P-C4' energy: -9.532
flat angles P-C4'-P energy: -6.746
tors. eta vs tors. theta energy: 1.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -95.802438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.802438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.802438 (E_RNA)
where:
Base-Base interactions energy: -41.548
where: short stacking energy: -33.597
Base-Backbone interact. energy: -0.102
local terms energy: -54.152169
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -11.120
flat angles P-C4'-P energy: -9.265
tors. eta vs tors. theta energy: -7.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -75.252358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.252358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.252358 (E_RNA)
where:
Base-Base interactions energy: -36.252
where: short stacking energy: -25.046
Base-Backbone interact. energy: -0.535
local terms energy: -38.466249
where:
bonds (distance) C4'-P energy: -7.673
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -10.839
flat angles P-C4'-P energy: -2.537
tors. eta vs tors. theta energy: -1.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -74.684123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.684123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.684123 (E_RNA)
where:
Base-Base interactions energy: -14.422
where: short stacking energy: -14.422
Base-Backbone interact. energy: -0.752
local terms energy: -59.509808
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -8.974
tors. eta vs tors. theta energy: -2.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -204.158863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.158863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.158863 (E_RNA)
where:
Base-Base interactions energy: -136.440
where: short stacking energy: -53.800
Base-Backbone interact. energy: -0.194
local terms energy: -67.525041
where:
bonds (distance) C4'-P energy: -11.680
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -14.530
flat angles P-C4'-P energy: -11.367
tors. eta vs tors. theta energy: -12.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -209.180475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.180475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.180475 (E_RNA)
where:
Base-Base interactions energy: -141.664
where: short stacking energy: -54.353
Base-Backbone interact. energy: -0.016
local terms energy: -67.500371
where:
bonds (distance) C4'-P energy: -12.574
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -13.516
flat angles P-C4'-P energy: -9.147
tors. eta vs tors. theta energy: -15.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -192.103156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.103156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.103156 (E_RNA)
where:
Base-Base interactions energy: -135.370
where: short stacking energy: -62.150
Base-Backbone interact. energy: -0.236
local terms energy: -56.497842
where:
bonds (distance) C4'-P energy: -11.547
bonds (distance) P-C4' energy: -14.751
flat angles C4'-P-C4' energy: -8.106
flat angles P-C4'-P energy: -7.170
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: 4, replica: 7
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -180.011222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.011222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.011222 (E_RNA)
where:
Base-Base interactions energy: -107.568
where: short stacking energy: -50.343
Base-Backbone interact. energy: -0.045
local terms energy: -72.398301
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -12.964
flat angles C4'-P-C4' energy: -15.749
flat angles P-C4'-P energy: -11.252
tors. eta vs tors. theta energy: -16.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -154.028073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.028073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.028073 (E_RNA)
where:
Base-Base interactions energy: -102.786
where: short stacking energy: -53.507
Base-Backbone interact. energy: -0.238
local terms energy: -51.004594
where:
bonds (distance) C4'-P energy: -7.896
bonds (distance) P-C4' energy: -12.574
flat angles C4'-P-C4' energy: -15.815
flat angles P-C4'-P energy: -10.969
tors. eta vs tors. theta energy: -3.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -99.693167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.693167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.693167 (E_RNA)
where:
Base-Base interactions energy: -48.901
where: short stacking energy: -39.614
Base-Backbone interact. energy: 0.166
local terms energy: -50.958007
where:
bonds (distance) C4'-P energy: -14.580
bonds (distance) P-C4' energy: -8.009
flat angles C4'-P-C4' energy: -16.995
flat angles P-C4'-P energy: -7.830
tors. eta vs tors. theta energy: -3.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -136.660037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.660037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.660037 (E_RNA)
where:
Base-Base interactions energy: -82.939
where: short stacking energy: -36.715
Base-Backbone interact. energy: -0.874
local terms energy: -52.846462
where:
bonds (distance) C4'-P energy: -8.228
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -13.418
flat angles P-C4'-P energy: -8.295
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: 8, replica: 5
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -91.089680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.089680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.089680 (E_RNA)
where:
Base-Base interactions energy: -36.495
where: short stacking energy: -36.495
Base-Backbone interact. energy: -0.024
local terms energy: -54.571425
where:
bonds (distance) C4'-P energy: -8.775
bonds (distance) P-C4' energy: -13.870
flat angles C4'-P-C4' energy: -15.797
flat angles P-C4'-P energy: -7.388
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: 9, replica: 1
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -92.022076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.022076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.022076 (E_RNA)
where:
Base-Base interactions energy: -47.585
where: short stacking energy: -29.063
Base-Backbone interact. energy: -0.104
local terms energy: -44.332651
where:
bonds (distance) C4'-P energy: -14.383
bonds (distance) P-C4' energy: -11.228
flat angles C4'-P-C4' energy: -7.722
flat angles P-C4'-P energy: -7.557
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: 3
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -103.552450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.552450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.552450 (E_RNA)
where:
Base-Base interactions energy: -52.633
where: short stacking energy: -25.762
Base-Backbone interact. energy: -0.478
local terms energy: -50.441583
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -12.066
flat angles P-C4'-P energy: -4.649
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: 1, replica: 2
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -206.826737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.826737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.826737 (E_RNA)
where:
Base-Base interactions energy: -131.844
where: short stacking energy: -64.857
Base-Backbone interact. energy: -0.284
local terms energy: -74.698732
where:
bonds (distance) C4'-P energy: -16.687
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -14.763
flat angles P-C4'-P energy: -11.047
tors. eta vs tors. theta energy: -17.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -200.165460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.165460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.165460 (E_RNA)
where:
Base-Base interactions energy: -135.155
where: short stacking energy: -61.212
Base-Backbone interact. energy: -0.681
local terms energy: -64.329813
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -11.368
flat angles P-C4'-P energy: -9.411
tors. eta vs tors. theta energy: -10.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -198.551257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.551257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.551257 (E_RNA)
where:
Base-Base interactions energy: -141.252
where: short stacking energy: -58.921
Base-Backbone interact. energy: -0.059
local terms energy: -57.240405
where:
bonds (distance) C4'-P energy: -12.769
bonds (distance) P-C4' energy: -11.799
flat angles C4'-P-C4' energy: -9.041
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: -13.748
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: 7
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -198.925670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.925670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.925670 (E_RNA)
where:
Base-Base interactions energy: -119.962
where: short stacking energy: -54.700
Base-Backbone interact. energy: -0.666
local terms energy: -78.297278
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -15.935
flat angles P-C4'-P energy: -12.100
tors. eta vs tors. theta energy: -17.349
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: 9
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -177.046821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.046821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.046821 (E_RNA)
where:
Base-Base interactions energy: -110.960
where: short stacking energy: -55.610
Base-Backbone interact. energy: -0.158
local terms energy: -65.928804
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -11.280
flat angles C4'-P-C4' energy: -16.283
flat angles P-C4'-P energy: -9.654
tors. eta vs tors. theta energy: -15.649
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: 8
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -110.553911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.553911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.553911 (E_RNA)
where:
Base-Base interactions energy: -52.718
where: short stacking energy: -43.571
Base-Backbone interact. energy: -0.055
local terms energy: -57.781287
where:
bonds (distance) C4'-P energy: -11.287
bonds (distance) P-C4' energy: -13.982
flat angles C4'-P-C4' energy: -10.841
flat angles P-C4'-P energy: -11.871
tors. eta vs tors. theta energy: -9.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -107.127769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.127769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.127769 (E_RNA)
where:
Base-Base interactions energy: -61.361
where: short stacking energy: -32.670
Base-Backbone interact. energy: -0.258
local terms energy: -45.508516
where:
bonds (distance) C4'-P energy: -10.546
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -9.964
flat angles P-C4'-P energy: -7.398
tors. eta vs tors. theta energy: -3.085
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: 6
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -133.571292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.571292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.571292 (E_RNA)
where:
Base-Base interactions energy: -73.559
where: short stacking energy: -49.646
Base-Backbone interact. energy: -0.197
local terms energy: -59.815136
where:
bonds (distance) C4'-P energy: -14.014
bonds (distance) P-C4' energy: -15.542
flat angles C4'-P-C4' energy: -13.183
flat angles P-C4'-P energy: -10.685
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: 9, replica: 3
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -77.412647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.412647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.412647 (E_RNA)
where:
Base-Base interactions energy: -42.643
where: short stacking energy: -21.246
Base-Backbone interact. energy: -1.146
local terms energy: -33.623477
where:
bonds (distance) C4'-P energy: -7.430
bonds (distance) P-C4' energy: -12.689
flat angles C4'-P-C4' energy: -14.663
flat angles P-C4'-P energy: -3.365
tors. eta vs tors. theta energy: 4.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -79.441228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.441228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.441228 (E_RNA)
where:
Base-Base interactions energy: -32.504
where: short stacking energy: -32.504
Base-Backbone interact. energy: -0.114
local terms energy: -46.823138
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -14.049
flat angles C4'-P-C4' energy: -8.047
flat angles P-C4'-P energy: -6.666
tors. eta vs tors. theta energy: -4.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -203.308960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.308960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.308960 (E_RNA)
where:
Base-Base interactions energy: -133.192
where: short stacking energy: -56.000
Base-Backbone interact. energy: -0.056
local terms energy: -70.060673
where:
bonds (distance) C4'-P energy: -16.694
bonds (distance) P-C4' energy: -16.481
flat angles C4'-P-C4' energy: -11.779
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: -16.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -199.835642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.835642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.835642 (E_RNA)
where:
Base-Base interactions energy: -130.991
where: short stacking energy: -59.895
Base-Backbone interact. energy: -0.425
local terms energy: -68.420304
where:
bonds (distance) C4'-P energy: -8.215
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -13.983
tors. eta vs tors. theta energy: -14.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -182.232254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.232254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.232254 (E_RNA)
where:
Base-Base interactions energy: -117.964
where: short stacking energy: -52.062
Base-Backbone interact. energy: -0.238
local terms energy: -64.030722
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -13.967
flat angles P-C4'-P energy: -9.211
tors. eta vs tors. theta energy: -9.038
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: 7
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -217.834693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.834693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.834693 (E_RNA)
where:
Base-Base interactions energy: -141.093
where: short stacking energy: -59.572
Base-Backbone interact. energy: -0.066
local terms energy: -76.676319
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -16.947
flat angles P-C4'-P energy: -12.488
tors. eta vs tors. theta energy: -16.984
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: 5, replica: 9
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -168.297346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.297346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.297346 (E_RNA)
where:
Base-Base interactions energy: -109.146
where: short stacking energy: -46.452
Base-Backbone interact. energy: 0.301
local terms energy: -59.452410
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -9.875
flat angles C4'-P-C4' energy: -13.782
flat angles P-C4'-P energy: -7.660
tors. eta vs tors. theta energy: -13.594
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: 499
Temperature: 1.150000
Total energy: -94.283331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.283331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.283331 (E_RNA)
where:
Base-Base interactions energy: -44.409
where: short stacking energy: -42.247
Base-Backbone interact. energy: -0.090
local terms energy: -49.784998
where:
bonds (distance) C4'-P energy: -7.722
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -12.587
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: -6.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -114.867485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.867485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.867485 (E_RNA)
where:
Base-Base interactions energy: -59.363
where: short stacking energy: -50.024
Base-Backbone interact. energy: -0.018
local terms energy: -55.486804
where:
bonds (distance) C4'-P energy: -11.030
bonds (distance) P-C4' energy: -11.387
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -6.691
tors. eta vs tors. theta energy: -11.497
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: 6
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -92.141438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.141438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.141438 (E_RNA)
where:
Base-Base interactions energy: -48.299
where: short stacking energy: -23.673
Base-Backbone interact. energy: -0.298
local terms energy: -43.544365
where:
bonds (distance) C4'-P energy: -9.909
bonds (distance) P-C4' energy: -12.830
flat angles C4'-P-C4' energy: -12.758
flat angles P-C4'-P energy: -10.896
tors. eta vs tors. theta energy: 2.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -84.897648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.897648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.897648 (E_RNA)
where:
Base-Base interactions energy: -32.242
where: short stacking energy: -21.471
Base-Backbone interact. energy: -0.342
local terms energy: -52.313788
where:
bonds (distance) C4'-P energy: -15.606
bonds (distance) P-C4' energy: -13.252
flat angles C4'-P-C4' energy: -9.994
flat angles P-C4'-P energy: -11.209
tors. eta vs tors. theta energy: -2.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -80.327229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.327229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.327229 (E_RNA)
where:
Base-Base interactions energy: -31.071
where: short stacking energy: -31.071
Base-Backbone interact. energy: -0.228
local terms energy: -49.028592
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -10.440
flat angles P-C4'-P energy: -8.537
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: 1, replica: 4
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -199.968577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.968577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.968577 (E_RNA)
where:
Base-Base interactions energy: -127.493
where: short stacking energy: -59.162
Base-Backbone interact. energy: -0.734
local terms energy: -71.741648
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -12.513
flat angles P-C4'-P energy: -11.916
tors. eta vs tors. theta energy: -18.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -198.251542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.251542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.251542 (E_RNA)
where:
Base-Base interactions energy: -135.145
where: short stacking energy: -55.503
Base-Backbone interact. energy: -0.147
local terms energy: -62.958765
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -16.448
flat angles C4'-P-C4' energy: -13.783
flat angles P-C4'-P energy: -1.927
tors. eta vs tors. theta energy: -16.272
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: 7
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -200.540883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.540883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.540883 (E_RNA)
where:
Base-Base interactions energy: -129.959
where: short stacking energy: -50.613
Base-Backbone interact. energy: -0.630
local terms energy: -69.952362
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -16.113
flat angles C4'-P-C4' energy: -14.329
flat angles P-C4'-P energy: -10.871
tors. eta vs tors. theta energy: -15.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -163.176381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.176381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.176381 (E_RNA)
where:
Base-Base interactions energy: -105.464
where: short stacking energy: -43.937
Base-Backbone interact. energy: -0.179
local terms energy: -57.533450
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -12.211
flat angles P-C4'-P energy: -9.544
tors. eta vs tors. theta energy: -8.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -184.444337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.444337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.444337 (E_RNA)
where:
Base-Base interactions energy: -117.506
where: short stacking energy: -51.318
Base-Backbone interact. energy: 0.603
local terms energy: -67.541853
where:
bonds (distance) C4'-P energy: -14.234
bonds (distance) P-C4' energy: -15.517
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -15.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -119.739721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.739721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.739721 (E_RNA)
where:
Base-Base interactions energy: -55.464
where: short stacking energy: -46.413
Base-Backbone interact. energy: -0.141
local terms energy: -64.135161
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -13.537
flat angles C4'-P-C4' energy: -10.915
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -15.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -110.830903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.830903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.830903 (E_RNA)
where:
Base-Base interactions energy: -57.425
where: short stacking energy: -45.562
Base-Backbone interact. energy: 0.427
local terms energy: -53.833149
where:
bonds (distance) C4'-P energy: -15.824
bonds (distance) P-C4' energy: -12.529
flat angles C4'-P-C4' energy: -13.332
flat angles P-C4'-P energy: -4.664
tors. eta vs tors. theta energy: -7.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -94.654144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.654144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.654144 (E_RNA)
where:
Base-Base interactions energy: -42.496
where: short stacking energy: -32.855
Base-Backbone interact. energy: -0.473
local terms energy: -51.684937
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -13.918
flat angles C4'-P-C4' energy: -9.118
flat angles P-C4'-P energy: -9.894
tors. eta vs tors. theta energy: -5.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -92.486566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.486566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.486566 (E_RNA)
where:
Base-Base interactions energy: -50.281
where: short stacking energy: -32.481
Base-Backbone interact. energy: -1.916
local terms energy: -40.289498
where:
bonds (distance) C4'-P energy: -11.230
bonds (distance) P-C4' energy: -14.690
flat angles C4'-P-C4' energy: -9.803
flat angles P-C4'-P energy: -3.070
tors. eta vs tors. theta energy: -1.496
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: 3
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -75.250395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.250395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.250395 (E_RNA)
where:
Base-Base interactions energy: -26.314
where: short stacking energy: -21.902
Base-Backbone interact. energy: -0.765
local terms energy: -48.171788
where:
bonds (distance) C4'-P energy: -14.051
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -9.947
flat angles P-C4'-P energy: -6.867
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: 1, replica: 4
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -199.765423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.765423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.765423 (E_RNA)
where:
Base-Base interactions energy: -128.996
where: short stacking energy: -64.349
Base-Backbone interact. energy: 0.856
local terms energy: -71.625863
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -13.204
flat angles P-C4'-P energy: -13.223
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: 2, replica: 7
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -216.299516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.299516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.299516 (E_RNA)
where:
Base-Base interactions energy: -139.754
where: short stacking energy: -65.476
Base-Backbone interact. energy: -0.032
local terms energy: -76.514153
where:
bonds (distance) C4'-P energy: -14.161
bonds (distance) P-C4' energy: -17.310
flat angles C4'-P-C4' energy: -16.743
flat angles P-C4'-P energy: -10.259
tors. eta vs tors. theta energy: -18.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -185.755374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.755374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.755374 (E_RNA)
where:
Base-Base interactions energy: -121.522
where: short stacking energy: -45.153
Base-Backbone interact. energy: -0.293
local terms energy: -63.940693
where:
bonds (distance) C4'-P energy: -14.460
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -12.188
flat angles P-C4'-P energy: -8.716
tors. eta vs tors. theta energy: -11.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -182.307963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.307963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.307963 (E_RNA)
where:
Base-Base interactions energy: -109.284
where: short stacking energy: -64.306
Base-Backbone interact. energy: -0.622
local terms energy: -72.402118
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -16.693
flat angles C4'-P-C4' energy: -16.165
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -15.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -172.844554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.844554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.844554 (E_RNA)
where:
Base-Base interactions energy: -116.342
where: short stacking energy: -56.961
Base-Backbone interact. energy: -0.147
local terms energy: -56.355459
where:
bonds (distance) C4'-P energy: -9.507
bonds (distance) P-C4' energy: -15.175
flat angles C4'-P-C4' energy: -12.765
flat angles P-C4'-P energy: -8.443
tors. eta vs tors. theta energy: -10.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -115.813522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.813522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.813522 (E_RNA)
where:
Base-Base interactions energy: -62.464
where: short stacking energy: -43.945
Base-Backbone interact. energy: 0.040
local terms energy: -53.390043
where:
bonds (distance) C4'-P energy: -10.749
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -14.434
flat angles P-C4'-P energy: -5.066
tors. eta vs tors. theta energy: -8.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -92.620390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.620390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.620390 (E_RNA)
where:
Base-Base interactions energy: -46.435
where: short stacking energy: -37.344
Base-Backbone interact. energy: -0.171
local terms energy: -46.014532
where:
bonds (distance) C4'-P energy: -11.235
bonds (distance) P-C4' energy: -10.911
flat angles C4'-P-C4' energy: -15.163
flat angles P-C4'-P energy: -5.639
tors. eta vs tors. theta energy: -3.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -96.207092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.207092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.207092 (E_RNA)
where:
Base-Base interactions energy: -43.197
where: short stacking energy: -42.799
Base-Backbone interact. energy: -0.419
local terms energy: -52.590239
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -9.704
flat angles C4'-P-C4' energy: -9.319
flat angles P-C4'-P energy: -10.239
tors. eta vs tors. theta energy: -10.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -79.966711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.966711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.966711 (E_RNA)
where:
Base-Base interactions energy: -44.089
where: short stacking energy: -24.035
Base-Backbone interact. energy: -0.115
local terms energy: -35.762377
where:
bonds (distance) C4'-P energy: -8.908
bonds (distance) P-C4' energy: -11.004
flat angles C4'-P-C4' energy: -11.855
flat angles P-C4'-P energy: -3.697
tors. eta vs tors. theta energy: -0.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -88.957162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.957162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.957162 (E_RNA)
where:
Base-Base interactions energy: -32.643
where: short stacking energy: -23.693
Base-Backbone interact. energy: -0.222
local terms energy: -56.091484
where:
bonds (distance) C4'-P energy: -16.951
bonds (distance) P-C4' energy: -15.016
flat angles C4'-P-C4' energy: -12.389
flat angles P-C4'-P energy: -9.288
tors. eta vs tors. theta energy: -2.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
replica 7 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 19011786
moves confirmed later: 22544993
all moves confirmed: 41556779
percent of confirmed moves: 5.194597
current total energy: -174.490258
recalc. total energy: -174.490258
replica 4 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 16416851
moves confirmed later: 19070509
all moves confirmed: 35487360
percent of confirmed moves: 4.435920
current total energy: -150.476642
recalc. total energy: -150.476642
replica 10 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 22744253
moves confirmed later: 27545839
all moves confirmed: 50290092
percent of confirmed moves: 6.286262
current total energy: -179.268694
recalc. total energy: -179.268694
replica 2 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 13086669
moves confirmed later: 14676737
all moves confirmed: 27763406
percent of confirmed moves: 3.470426
current total energy: -154.588660
recalc. total energy: -154.588660
replica 9 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 17897046
moves confirmed later: 21047963
all moves confirmed: 38945009
percent of confirmed moves: 4.868126
current total energy: -134.719611
recalc. total energy: -134.719611
replica 6 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 24004259
moves confirmed later: 29207638
all moves confirmed: 53211897
percent of confirmed moves: 6.651487
current total energy: -51.267094
recalc. total energy: -51.267094
replica 1 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 23728075
moves confirmed later: 28823532
all moves confirmed: 52551607
percent of confirmed moves: 6.568951
current total energy: -36.218760
recalc. total energy: -36.218760
replica 5 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 18593545
moves confirmed later: 21957416
all moves confirmed: 40550961
percent of confirmed moves: 5.068870
current total energy: -65.558745
recalc. total energy: -65.558745
replica 3 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 20708018
moves confirmed later: 24811727
all moves confirmed: 45519745
percent of confirmed moves: 5.689968
current total energy: -38.283383
recalc. total energy: -38.283383
replica 8 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 18722336
moves confirmed later: 22105889
all moves confirmed: 40828225
percent of confirmed moves: 5.103528
current total energy: -30.239586
recalc. total energy: -30.239586
out arg RESULTS//1/D1-4e3bd1fe_01
Time of doing 8000000 iterations: 2598.576 seconds